SCHEMBL21891981

SCHEMBL21891981

COC(=O)N1CC(C)N(c2ncc3[nH]nc(-c4ccc(N5CCNC(C)C5)nc4)c3n2)C(C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 17/20 1.00
FGFR1 P11362 13/20 1.00
BMPR1A P36894 4/20 1.00
TGFBR1 P36897 4/20 1.00
ACVRL1 P37023 4/20 1.00
HAMP P81172 4/20 1.00
FGFR2 P21802 13/20 0.85
FGFR3 P22607 11/20 0.85

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
SCHEMBL21846815 1.00 ACVR1 (1.00) ACVR1FGFR1BMPR1ATGFBR1ACVRL1
SCHEMBL21846663 0.92 ACVR1 (1.00) ACVR1FGFR1BMPR1ATGFBR1ACVRL1
SCHEMBL21891930 0.92 ACVR1 (1.00) ACVR1FGFR1BMPR1ATGFBR1ACVRL1
SCHEMBL21808273 0.91 ACVR1 (0.84) ACVR1FGFR1BMPR1ATGFBR1ACVRL1
SCHEMBL21808272 0.91 ACVR1 (0.84) ACVR1FGFR1BMPR1ATGFBR1ACVRL1
SCHEMBL21891827 0.91 ACVR1 (1.00) ACVR1FGFR1BMPR1ATGFBR1ACVRL1
SCHEMBL21808347 0.91 ACVR1 (1.00) ACVR1FGFR1BMPR1ATGFBR1ACVRL1
SCHEMBL21808346 0.91 ACVR1 (1.00) ACVR1FGFR1BMPR1ATGFBR1ACVRL1
SCHEMBL21846789 0.90 FGFR2 (1.00) ACVR1FGFR1BMPR1ATGFBR1ACVRL1
SCHEMBL21891835 0.90 FGFR2 (1.00) ACVR1FGFR1BMPR1ATGFBR1ACVRL1

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-2020068729-A1 PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS ALK2 ABD/OR FGFR MODULATORS INCYTE CORPORATION (US) 2020-04-02 WO disclosed