SCHEMBL17448642

SCHEMBL17448642

Cc1cccc(-c2cnn3cc(-c4ccc(C5CCNCC5)cc4)cnc23)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 10/20 0.65
BMPR1A P36894 6/20 0.65
BMPR1B O00238 4/20 0.65
ACVR1B P36896 4/20 0.65
ACVRL1 P37023 4/20 0.65
KDR P35968 7/20 0.52
TGFBR1 P36897 3/20 0.52
PRKAB1 Q9Y478 2/20 0.52
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
RET P07949 1/20 0.45
TGFBR2 P37173 1/20 0.45
BMPR2 Q13873 1/20 0.45
HTR2C P28335 1/20 0.44

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
SCHEMBL26867335 0.87 ACVR1 (0.60) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL26867327 0.87 ACVR1 (0.60) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL24409629 0.86 ACVR1 (0.59) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL17442117 0.85 ACVR1 (0.58) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL17442436 0.85 ACVR1 (0.58) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL17441992 0.85 ACVR1 (0.64) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL19124829 0.85 ACVR1 (0.58) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL24409603 0.85 ACVR1 (0.60) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL17448509 0.84 ACVR1 (0.58) ACVR1BMPR1ABMPR1BACVR1BACVRL1
SCHEMBL24409601 0.84 ACVR1 (0.57) ACVR1BMPR1ABMPR1BACVR1BACVRL1

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-2016011019-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-21 WO disclosed