SCHEMBL18615504

SCHEMBL18615504

CN1CCN(C(=O)c2ccc(-c3cnc(N)c(C(N)=O)c3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BMPR1B O00238 3/20 0.68
▸ BMPR1A P36894 3/20 0.68
▸ ACVRL1 P37023 3/20 0.68
▸ ACVR1 Q04771 3/20 0.68
▸ TGFBR1 P36897 2/20 0.68
▸ KCNH2 Q12809 3/20 0.65
▸ PIK3C3 Q8NEB9 1/20 0.56
▸ MERTK Q12866 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ CCNC P24863 1/20 0.53
▸ CDK8 P49336 1/20 0.53
▸ MET P08581 1/20 0.53
▸ JAK2 O60674 2/20 0.52
▸ AXL P30530 1/20 0.52
▸ JAK1 P23458 1/20 0.52
▸ TYK2 P29597 1/20 0.52
▸ JAK3 P52333 1/20 0.52
▸ BTK Q06187 1/20 0.52
▸ MKNK1 Q9BUB5 1/20 0.51
▸ MKNK2 Q9HBH9 1/20 0.51

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
SCHEMBL18615511 0.90 BMPR1B (0.62) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL18617156 0.87 PIK3C3 (0.59) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL18617157 0.87 FYN (0.66) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL18616326 0.86 BMPR1B (0.57) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL24319038 0.85 KCNH2 (0.67) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL18616316 0.83 MERTK (0.57) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL18616286 0.83 MERTK (0.55) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19807056 0.81 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL29370385 0.81 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL18612197 0.81 MERTK (0.59) 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-3344613-B1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2020-03-04 — — EP disclosed
WO-2017039331-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2017-03-09 — — WO disclosed
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