SCHEMBL23988925

SCHEMBL23988925

CSc1cccc(-c2cnn3cc(-c4ccc(C(F)(F)CN5CCCC5)cc4)cnc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 8/20 0.46
ACVR1B P36896 5/20 0.46
ACVRL1 P37023 4/20 0.46
BMPR1B O00238 3/20 0.46
BMPR1A P36894 3/20 0.46
KDR P35968 10/20 0.45
FLT1 P17948 5/20 0.45
FLT4 P35916 4/20 0.45
PRKAB1 Q9Y478 3/20 0.43
TGFBR1 P36897 2/20 0.43
PRKAB2 O43741 2/20 0.43
PRKAG1 P54619 2/20 0.43
PRKAA2 P54646 2/20 0.43
PRKAA1 Q13131 2/20 0.43
PRKAG3 Q9UGI9 2/20 0.43
PRKAG2 Q9UGJ0 2/20 0.43
BMP4 P12644 2/20 0.43
LCK P06239 2/20 0.43
SRC P12931 2/20 0.43
YES1 P07947 1/20 0.43

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
SCHEMBL23988930 0.89 KDR (0.47) ACVR1ACVRL1BMPR1BBMPR1AKDR
SCHEMBL24409701 0.85 ACVR1 (0.45) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL23988879 0.84 ACVR1 (0.54) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL17442133 0.84 ACVR1 (0.54) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL24409663 0.84 ACVR1 (0.46) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL23988897 0.83 KDR (0.51) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL17442176 0.83 ACVR1 (0.53) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL17441954 0.83 KDR (0.47) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL23988714 0.82 FLT1 (0.68) ACVR1ACVR1BACVRL1BMPR1BBMPR1A
SCHEMBL24409776 0.77 KDR (0.50) ACVR1ACVR1BACVRL1BMPR1BBMPR1A

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