SCHEMBL19362805

SCHEMBL19362805

CCC(C)c1cc(F)cc(NCCN(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 1/20 0.41
▸ FLT3 P36888 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ DNM2 P50570 2/20 0.33
▸ CLK2 P49760 3/20 0.31
▸ CLK3 P49761 3/20 0.31
▸ DYRK1A Q13627 3/20 0.31
▸ MALT1 Q9UDY8 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ RAD52 P43351 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ EGFR P00533 1/20 0.30

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
SCHEMBL17562434 0.86 NOS2 (0.43) NOS2FLT3MAP4K4DNM2CLK2
SCHEMBL18474534 0.74 NOS2 (0.53) NOS2MAP4K4DNM2CYP2C19
SCHEMBL10244133 0.74 USP2 (0.44) USP2ALDH1A1GAAPKMHPGD
SCHEMBL10244197 0.74 USP2 (0.44) USP2ALDH1A1GAAPKMHPGD
SCHEMBL15445117 0.74 USP2 (0.44) USP2ALDH1A1GAAPKMHPGD
SCHEMBL17573454 0.74 NOS2 (0.56) NOS2MAP4K4DNM2CYP2C19
SCHEMBL18483348 0.72 NOS2 (0.45) NOS2MAP4K4DNM2CYP2C19
SCHEMBL15301101 0.72 NOS2 (0.45) NOS2FLT3MAP4K4DNM2CYP2C19
SCHEMBL18485039 0.72 NOS2 (0.51) NOS2MAP4K4DNM2CLK2CLK3
SCHEMBL22526148 0.69 ALDH1A1 (0.40) USP2ALDH1A1GAAPKMHPGD

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
US-9763951-B2 3-(3H-imidazo[4,5-C]pyridin-2-yl)-1H-pyrazolo[3,4-C]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2017-09-19 — — US disclosed
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