SCHEMBL21891828

SCHEMBL21891828

CC1CCCC(C)N1c1ncc2[nH]nc(-c3ccc(N4CCN(C)CC4)cc3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 11/20 1.00
▸ FGFR1 P11362 10/20 1.00
▸ FGFR2 P21802 10/20 1.00
▸ FGFR3 P22607 8/20 1.00
▸ BMPR1A P36894 3/20 0.70
▸ TGFBR1 P36897 3/20 0.70
▸ ACVRL1 P37023 3/20 0.70
▸ HAMP P81172 2/20 0.70
▸ JAK3 P52333 1/20 0.55
▸ MAP4K1 Q92918 4/20 0.54

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
SCHEMBL21808630 1.00 ACVR1 (1.00) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL30767266 0.90 ACVR1 (0.82) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL21808525 0.85 FGFR2 (0.82) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL21846698 0.83 FGFR2 (1.00) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL30767265 0.80 ACVR1 (0.72) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL30767259 0.79 FGFR2 (0.73) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL30767254 0.78 ACVR1 (0.75) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL21808276 0.77 FGFR2 (0.83) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL21891889 0.76 ACVR1 (1.00) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL21808263 0.76 ACVR1 (1.00) ACVR1FGFR1FGFR2FGFR3BMPR1A

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
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