SCHEMBL21779418

SCHEMBL21779418

CN1CCC(NC(=O)c2ccc(-c3cnc(N)c(C(N)=O)c3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BMPR1B O00238 12/20 0.68
▸ BMPR1A P36894 12/20 0.68
▸ ACVRL1 P37023 12/20 0.68
▸ ACVR1 Q04771 12/20 0.68
▸ TGFBR1 P36897 11/20 0.68
▸ ATR Q13535 1/20 0.55
▸ PIK3C3 Q8NEB9 2/20 0.55
▸ AXL P30530 3/20 0.53
▸ MERTK Q12866 3/20 0.53
▸ FYN P06241 1/20 0.52
▸ JAK3 P52333 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
SCHEMBL18611763 0.89 AXL (0.66) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL18616701 0.87 BMPR1B (0.71) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL18611756 0.85 MERTK (0.61) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL18615349 0.82 MERTK (0.61) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19807056 0.81 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL29370385 0.81 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806979 0.80 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19806978 0.80 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL29370244 0.80 BMPR1B (1.00) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL19807032 0.80 BMPR1B (1.00) 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 1 patent. 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
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