SCHEMBL845051

SCHEMBL845051

O=C(O)NCCc1cc2ccc(F)cc2nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR2 P34972 1/20 0.37
NOTUM Q6P988 2/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
CNR1 P21554 3/20 0.36
MAPT P10636 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
NAMPT P43490 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5139 0.81 CNR1 (0.39) NPSR1KMT2AALDH1A1KDM4ECYP1A2
SCHEMBL4441765 0.79 ALDH1A1 (0.50) NPSR1KMT2AALDH1A1KDM4EGAA
SCHEMBL7307 0.77 ALDH1A1 (0.40) NPSR1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL3579340 0.77 ALDH1A1 (0.62) NPSR1KMT2AALDH1A1KDM4EGAA
SCHEMBL15320119 0.77 ALDH1A1 (0.41) KMT2AALDH1A1MAPTNAMPT
SCHEMBL27611366 0.76 HPGD (0.49) KMT2AALDH1A1KDM4EGAACYP1A2
SCHEMBL14047370 0.75 KMT2A (0.50) NPSR1KMT2AALDH1A1KDM4EGAA
SCHEMBL3578871 0.74 KMT2A (0.65) NPSR1KMT2AALDH1A1KDM4EGAA
SCHEMBL4442102 0.73 PIK3CD (0.44) ALDH1A1MTNR1AMTNR1B
SCHEMBL4443165 0.73 KMT2A (0.37) NPSR1KMT2AALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834231-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2015-02-11 EP disclosed
WO-2013152150-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-10-10 WO disclosed
EP-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP disclosed
EP-2396315-A1 FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2011-12-21 EP disclosed
WO-2010133836-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-11-25 WO disclosed
WO-2010092340-A1 FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-08-19 WO disclosed