SCHEMBL2821628

SCHEMBL2821628

CCCCCOc1c(C)c(CC)nc2cc(F)c(F)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.34
TLR8 Q9NR97 2/20 0.32
EGFR P00533 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCND2 P30279 1/20 0.31
CCND3 P30281 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CCNH P51946 1/20 0.31
MNAT1 P51948 1/20 0.31
CDK5 Q00535 1/20 0.31

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
SCHEMBL2819625 0.75 GAA (0.37)
SCHEMBL2823560 0.74 KMT2A (0.35)
SCHEMBL13106589 0.70 PPM1A (0.42) PDE2A
SCHEMBL13107062 0.70 KDM4E (0.38) PDE2A
SCHEMBL28389768 0.67 TSHR (0.43) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL29961911 0.67 TSHR (0.43) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL13107201 0.67 KCNH2 (0.39) CCNE2CCNE1CDK2
SCHEMBL13107161 0.67 RAB9A (0.39) THRB
SCHEMBL13107207 0.66 POLB (0.43) PDE2A
SCHEMBL13106408 0.66 PLA2G2A (0.50) CDK1CDK4CDK2

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-1386914-B1 HALOGENATED QUINOLINE DERIVATIVES AND ECTOPARASITE CONTROLLERS MEIJI SEIKA KAISHA (JP) 2010-10-27 EP disclosed
US-7022855-B2 Halogen-substituted quinoline derivatives and ectoparasite control agent MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-04 US disclosed