SCHEMBL20928261

SCHEMBL20928261

CC(C)c1ccc(-c2cc3c(N)ccnc3[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.50
KIT P10721 3/20 0.46
RIPK1 Q13546 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
CDC7 O00311 1/20 0.41
PIM1 P11309 1/20 0.41
CDK9 P50750 1/20 0.41

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 0.80 ADORA2A (0.56) EGFRKITRIPK1
SCHEMBL20928159 0.80 MITF (0.47) EGFRKITRIPK1CDC7PIM1
SCHEMBL12330482 0.80 CCNB2 (0.61) EGFRKITRIPK1
SCHEMBL20928271 0.78 KIT (0.42) EGFRKITRIPK1CDC7PIM1
SCHEMBL20927913 0.74 PIK3C3 (0.51) EGFRKIT
SCHEMBL20927979 0.73 CDK1 (0.40)
SCHEMBL20927793 0.72 PRMT5 (0.45) KITRIPK1
SCHEMBL20927803 0.72 AURKA (0.56) KIT
SCHEMBL4155195 0.72 NR4A2 (0.54) EGFR
SCHEMBL31119539 0.70 IKBKB (0.47) KIT

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