SCHEMBL9083418

SCHEMBL9083418

CC(C)(C)Nc1nc(Cl)cc(N2CCCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
LMNA P02545 4/20 0.54
MEN1 O00255 4/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2D6 P10635 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.41
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
NUDT1 P36639 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9086202 0.81 CASP1 (0.58) KMT2ALMNAMEN1CYP1A2CYP2D6
SCHEMBL9084373 0.81 HRH4 (0.49) KMT2AMEN1CYP1A2CYP2D6ALDH1A1
SCHEMBL9085029 0.77 SMN1; SMN2 (0.60) KMT2ALMNAMEN1CYP1A2CYP2D6
SCHEMBL9085486 0.74 HRH4 (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL3406103 0.73 KMT2A (0.54) KMT2ACYP1A2CYP2D6SMN1; SMN2MAPT
SCHEMBL16094946 0.73 RAF1 (0.59) KMT2AMEN1CYP1A2CYP2D6RAF1
SCHEMBL2771738 0.72 CYP1A2 (0.47) KMT2ALMNACYP1A2CYP2D6SMN1; SMN2
SCHEMBL9083966 0.72 MEN1 (0.54) KMT2ALMNAMEN1CYP1A2CYP2D6
SCHEMBL2955939 0.72 MEN1 (0.44) KMT2ALMNAMEN1CYP1A2CYP2D6
SCHEMBL9085033 0.72 HRH4 (0.49) KMT2ALMNAMEN1CYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5550240-A Piperazinyl-bis(alkylamino)pyrimidine derivatives and process for preparing same RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1996-08-27 US disclosed
US-5547949-A INHIBITING PEROXIDATION OF LIPIDS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1996-08-20 US disclosed
EP-0646126-A1 NOVEL STEROIDS WITH PREGNANE SKELETON, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1995-04-05 EP disclosed
EP-0644885-A1 NOVEL BIOLOGICALLY ACTIVE EBURNAMENINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHETER GEDEON VEGYESZETI GYAR RT. (HU) 1995-03-29 EP disclosed
EP-0644882-A1 NOVEL PIPERZINYL-BIS(ALKYLAMINO)PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1995-03-29 EP disclosed
WO-1993025570-A1 NOVEL STEROIDS WITH PREGNANE SKELETON, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1993-12-23 WO disclosed
WO-1993025550-A1 NOVEL BIOLOGICALLY ACTIVE EBURNAMENINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHETER GEDEON VEGYÉSZETI GYÁR RT. (HU) 1993-12-23 WO disclosed
WO-1993025539-A1 NOVEL PIPERZINYL-BIS(ALKYLAMINO)PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1993-12-23 WO disclosed