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SCHEMBL1848601

SCHEMBL1848601

COc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4c(N)ncnc43)CC2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4ncc[nH]4)c4c(N)ncnc43)CC2)c(F)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 13/20 0.55
▸ FGFR1 P11362 6/20 0.38
▸ FGFR2 P21802 6/20 0.38
▸ FGFR3 P22607 6/20 0.38
▸ FGFR4 P22455 3/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL1846775 1.00 CCR1 (0.55) CCR1FGFR1FGFR2FGFR3FGFR4
SCHEMBL15096076 0.90 CCR1 (0.46) CCR1FGFR1FGFR2FGFR3FGFR4
SCHEMBL3226671 0.89 CCR1 (0.45) CCR1FGFR1FGFR2FGFR3FGFR4
SCHEMBL3226680 0.89 CCR1 (0.45) CCR1FGFR1FGFR2FGFR3FGFR4
SCHEMBL16500344 0.87 CCR1 (0.41) CCR1FGFR1FGFR2FGFR3FGFR4
SCHEMBL1637661 0.87 CCR1 (0.72) CCR1CYP2C19KCNH2
Hydrochloric Acid SCHEMBL3227494 0.86 CCR1 (0.71) CCR1CYP2C19KCNH2
SCHEMBL1847193 0.86 CCR1 (0.46) CCR1FGFR1FGFR2FGFR3FGFR4
SCHEMBL15092784 0.86 CCR1 (0.52) CCR1CYP2C19KCNH2
SCHEMBL1637827 0.84 CCR1 (0.77) CCR1CYP2C19KCNH2

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-2323663-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES ChemoCentryx, Inc. (US) 2011-05-25 — — EP disclosed
WO-2010030815-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX, INC. (US) 2010-03-18 — — WO disclosed