SCHEMBL18558574

SCHEMBL18558574

COC[C@H](C)N/C(=N/C(=O)c1ccc(OC)nc1)Nc1cc(-c2ccc(F)cc2)[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
TNIK Q9UKE5 2/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 1/20 0.40
GAK O14976 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MARK1 Q9P0L2 1/20 0.39
STK17A Q9UEE5 1/20 0.39
PTK2B Q14289 1/20 0.38
MAPK1 P28482 4/20 0.37
GABRA5 P31644 4/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
HPGDS O60760 1/20 0.37

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
SCHEMBL18558240 0.91 RAB9A (0.52) RAB9ACSNK2A2CSNK2A1GAKPDGFRB
SCHEMBL18557603 0.91 RAB9A (0.52) RAB9ACSNK2A2CSNK2A1GAKPDGFRB
SCHEMBL18558659 0.89 RAB9A (0.45) RAB9ACSNK2A2CSNK2A1GAKPDGFRB
SCHEMBL18557814 0.87 RAB9A (0.48) RAB9ATNIKCSNK2A2CSNK2A1GAK
SCHEMBL18558194 0.86 RAB9A (0.47) RAB9ATNIKCSNK2A2CSNK2A1GAK
SCHEMBL18558632 0.86 RAB9A (0.47) RAB9ACSNK2A2CSNK2A1GAKPDGFRB
SCHEMBL18558500 0.85 RAB9A (0.45) RAB9ACSNK2A2CSNK2A1GAKPDGFRB
SCHEMBL18558663 0.84 RAB9A (0.45) RAB9ACDK2TNIKCSNK2A2CSNK2A1
SCHEMBL18558181 0.84 RAB9A (0.45) RAB9ACSNK2A2CSNK2A1GAKPDGFRB
SCHEMBL18558517 0.84 RAB9A (0.45) RAB9ATNIKCSNK2A2CSNK2A1GAK

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-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed