SCHEMBL23988895

SCHEMBL23988895

CSc1cccc(-c2cnn3cc(-c4ccc(C5CCN(C)CC5)cc4)cnc23)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 7/20 0.49
BMPR1A P36894 3/20 0.49
ACVR1B P36896 3/20 0.49
BMPR1B O00238 2/20 0.49
ACVRL1 P37023 2/20 0.49
KDR P35968 9/20 0.45
BMP4 P12644 2/20 0.44
TGFBR1 P36897 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
KMT2A Q03164 1/20 0.42
TGFBR2 P37173 1/20 0.42
BMPR2 Q13873 1/20 0.42
GAK O14976 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 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
SCHEMBL26867314 0.85 ACVR1 (0.47) ACVR1BMPR1AACVR1BBMPR1BACVRL1
SCHEMBL17442147 0.83 ACVR1 (0.45) ACVR1BMPR1AACVR1BBMPR1BACVRL1
SCHEMBL17442238 0.83 ACVR1 (0.62) ACVR1BMPR1AACVR1BBMPR1BACVRL1
SCHEMBL17448508 0.82 ACVR1 (0.47) ACVR1BMPR1AACVR1BBMPR1BACVRL1
SCHEMBL24409603 0.79 ACVR1 (0.60) ACVR1BMPR1AACVR1BBMPR1BACVRL1
SCHEMBL23988897 0.78 KDR (0.51) ACVR1BMPR1AACVR1BBMPR1BACVRL1
SCHEMBL23988769 0.77 KDR (0.41) ACVR1BMPR1AKDRBMP4TGFBR1
SCHEMBL23988879 0.77 ACVR1 (0.54) ACVR1BMPR1AACVR1BBMPR1BACVRL1
SCHEMBL23988901 0.77 KDR (0.48) ACVR1BMPR1ABMPR1BACVRL1KDR
SCHEMBL23988711 0.77 ACVR1 (0.47) ACVR1BMPR1AACVR1BBMPR1BACVRL1

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-2021222875-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed