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SCHEMBL21891830

SCHEMBL21891830

CC1CN(c2ccc(-c3n[nH]c4cnc(N5C(C)CN(C(=O)N(C)C)CC5C)nc34)cn2)CCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 16/20 1.00
▸ FGFR1 P11362 13/20 0.80
▸ FGFR2 P21802 11/20 0.80
▸ FGFR3 P22607 9/20 0.80
▸ BMPR1A P36894 3/20 0.80
▸ TGFBR1 P36897 3/20 0.80
▸ ACVRL1 P37023 3/20 0.80
▸ HAMP P81172 3/20 0.80

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
SCHEMBL21808505 1.00 ACVR1 (1.00) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL21808507 1.00 ACVR1 (1.00) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL21808273 0.91 ACVR1 (0.84) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL21808272 0.91 ACVR1 (0.84) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL21892115 0.91 ACVR1 (1.00) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL21808295 0.91 ACVR1 (1.00) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL21808296 0.91 ACVR1 (1.00) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL21808317 0.89 ACVR1 (1.00) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL21808275 0.89 ACVR1 (1.00) ACVR1FGFR1FGFR2FGFR3BMPR1A
SCHEMBL21891981 0.89 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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