SCHEMBL21016554

SCHEMBL21016554

Cc1ccc(N(CC2CC2)c2ccccc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 8/20 0.51
FGFR1 P11362 6/20 0.46
FGFR2 P21802 6/20 0.46
FGFR3 P22607 6/20 0.46
KDR P35968 5/20 0.46
FGFR4 P22455 3/20 0.46
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
S1PR1 P21453 1/20 0.38
PTGIR P43119 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
FLT3 P36888 1/20 0.34

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
SCHEMBL5842151 0.76 ALDH1A1 (0.50) LTC4SFGFR1FGFR2FGFR3KDR
SCHEMBL25262182 0.76 FGFR1 (0.41) LTC4SFGFR1FGFR2FGFR3KDR
SCHEMBL18658375 0.75 OPRM1 (0.52) LTC4SFGFR1FGFR2FGFR3KDR
SCHEMBL29116510 0.73 OPRM1 (0.46) FGFR1FGFR2FGFR3KDRFGFR4
SCHEMBL25514117 0.73 LTC4S (0.37) LTC4SFGFR1FGFR2FGFR3KDR
SCHEMBL5842999 0.73 FGFR1 (0.38) LTC4SFGFR1FGFR2FGFR3KDR
SCHEMBL25255886 0.70 REN (0.45) FGFR1FGFR2FGFR3KDRFGFR4
SCHEMBL295453 0.69 ALDH1A1 (0.48) USP2ALDH1A1S1PR1
SCHEMBL26280939 0.69 ALDH1A1 (0.48) USP2ALDH1A1S1PR1
SCHEMBL14163838 0.69 ALDH1A1 (0.48) USP2ALDH1A1S1PR1

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
EP-3178818-B1 PYRAZOLYL QUINOXALINE KINASE INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2019-05-22 EP disclosed