SCHEMBL20067643

SCHEMBL20067643

Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCN(C(=O)c4ccc(Br)cc4)C3)c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 3/20 0.57
BMPR1A P36894 3/20 0.57
ACVRL1 P37023 3/20 0.57
ACVR1 Q04771 3/20 0.57
TGFBR1 P36897 2/20 0.57
MERTK Q12866 14/20 0.56
AXL P30530 13/20 0.56
IKBKE Q14164 1/20 0.50
TBK1 Q9UHD2 1/20 0.50
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
MET P08581 1/20 0.49
TYRO3 Q06418 1/20 0.49
RIPK1 Q13546 1/20 0.48

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
SCHEMBL20067752 0.92 BMPR1B (0.58) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20067672 0.91 BMPR1B (0.57) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL21460284 0.91 BMPR1B (0.61) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL20067644 0.91 BMPR1B (0.61) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL21460287 0.88 BMPR1B (0.56) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL21460213 0.88 AXL (0.60) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL21460290 0.87 BMPR1B (0.57) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL21460279 0.87 BMPR1B (0.63) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL21473934 0.87 BMPR1B (0.53) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL21473948 0.87 IKBKE (0.54) BMPR1BBMPR1AACVRL1ACVR1TGFBR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3523292-B1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG A SOCIO HOLDINGS CO LTD (KR) 2021-12-15 EP disclosed
WO-2018071343-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2018-04-19 WO disclosed