SCHEMBL27900697

SCHEMBL27900697

CO[C@H]1CCCN1Cc1ccc(-c2cnc(N)c(-c3nnnn3-c3cccc(Cl)c3Cl)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 6/20 0.36
BMPR1A P36894 5/20 0.36
ACVRL1 P37023 5/20 0.36
TGFBR1 P36897 4/20 0.36
BMPR1B O00238 3/20 0.36
P2RX7 Q99572 8/20 0.35
LRRK2 Q5S007 2/20 0.35
MET P08581 3/20 0.34
KCNN4 O15554 1/20 0.34

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
SCHEMBL27900698 1.00 ACVR1 (0.36) ACVR1BMPR1AACVRL1TGFBR1BMPR1B
SCHEMBL27900709 0.89 BMPR1A (0.36) ACVR1BMPR1AACVRL1TGFBR1BMPR1B
SCHEMBL27900710 0.89 BMPR1A (0.36) ACVR1BMPR1AACVRL1TGFBR1BMPR1B
SCHEMBL985996 0.87 SPHK1 (0.44)
SCHEMBL985994 0.87 SPHK1 (0.44)
SCHEMBL27900749 0.87 LRRK2 (0.41) P2RX7LRRK2KCNN4
SCHEMBL28805617 0.86 LRRK2 (0.37) P2RX7LRRK2MET
SCHEMBL983307 0.85 MET (0.44) LRRK2MET
SCHEMBL982530 0.85 SPHK1 (0.44) ACVR1BMPR1AACVRL1TGFBR1BMPR1B
SCHEMBL983306 0.85 MET (0.44) LRRK2MET

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
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN claimed