SCHEMBL13734775

SCHEMBL13734775

CC(C)(C)N1CCN(c2ccc(-n3nccc3-c3cccs3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
HPGD P15428 5/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALOX15 P16050 3/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 9/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
FLT3 P36888 1/20 0.38
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL13737298 0.87 FLT3 (0.48) KDM4EHPGDALDH1A1SMN1; SMN2ALOX15
SCHEMBL13734652 0.83 NPC1 (0.56) KDM4EHPGDALDH1A1SMN1; SMN2ALOX15
SCHEMBL13735901 0.82 ALDH1A1 (0.43) KDM4EHPGDALDH1A1SMN1; SMN2ALOX15
SCHEMBL13735494 0.80 ALDH1A1 (0.43) KDM4EHPGDALDH1A1SMN1; SMN2ALOX15
SCHEMBL13734142 0.79 HRH4 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9ADRD2
SCHEMBL13734221 0.76 ACVR1 (0.41) KDM4EHPGDALDH1A1SMN1; SMN2ALOX15
SCHEMBL13736589 0.76 ALDH1A1 (0.43) KDM4EHPGDALDH1A1SMN1; SMN2ALOX15
SCHEMBL13736485 0.74 DGAT1 (0.56) KDM4EHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL13736645 0.73 KDM4E (0.40) KDM4EHPGDALDH1A1SMN1; SMN2ALOX15
SCHEMBL13736981 0.72 KDM4E (0.38) KDM4EHPGDALDH1A1ALOX15MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP claimed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO claimed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed