SCHEMBL20928271

SCHEMBL20928271

C[S+]([O-])c1ccc(-c2cc3c(N)ccnc3[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 7/20 0.42
RIPK1 Q13546 1/20 0.40
CCNB2 O95067 3/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 3/20 0.39
GSK3A P49840 3/20 0.39
GSK3B P49841 3/20 0.39
CCNB3 Q8WWL7 3/20 0.39
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
CHUK O15111 2/20 0.38
INSR P06213 2/20 0.38
MAPK8 P45983 2/20 0.38
CAMKK2 Q96RR4 2/20 0.38
EGFR P00533 2/20 0.38
CDC7 O00311 1/20 0.38
PIM1 P11309 1/20 0.38
CDK9 P50750 1/20 0.38
TBK1 Q9UHD2 1/20 0.37
MAPK14 Q16539 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
SCHEMBL20928367 0.78 ADORA2A (0.56) KITRIPK1CCNB2CDK1CCNB1
SCHEMBL20928159 0.78 MITF (0.47) KITRIPK1CCNB2CDK1CCNB1
SCHEMBL20928261 0.78 EGFR (0.50) KITRIPK1EGFRCDC7PIM1
SCHEMBL12330482 0.78 CCNB2 (0.61) KITRIPK1CCNB2CDK1CCNB1
SCHEMBL1777868 0.77 CCNB2 (0.65) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL20927913 0.71 PIK3C3 (0.51) KITEGFR
SCHEMBL20927793 0.70 PRMT5 (0.45) KITRIPK1MAPK8
SCHEMBL20927803 0.70 AURKA (0.56) KITTBK1
SCHEMBL31119539 0.68 IKBKB (0.47) KITCHUK
SCHEMBL20928364 0.67 CCNB2 (0.35) KITRIPK1CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019079649-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION (US) 2019-04-25 WO disclosed