SCHEMBL17026810

SCHEMBL17026810

Cc1cc(Br)cc(-c2[nH]c3ccc(C(F)(F)F)cc3c2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 6/20 0.50
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CCNB2 O95067 3/20 0.40
▸ CDK1 P06493 3/20 0.40
▸ CCNB1 P14635 3/20 0.40
▸ GSK3B P49841 3/20 0.40
▸ CDK5 Q00535 3/20 0.40
▸ CDK5R1 Q15078 3/20 0.40
▸ CCNB3 Q8WWL7 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CHUK O15111 1/20 0.37
▸ MAPT P10636 1/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ DDR1 Q08345 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
SCHEMBL17026908 0.87 KIF11 (0.52) KIF11MEN1KMT2ACCNB2CDK1
SCHEMBL17026971 0.74 MEN1 (0.51) KIF11MEN1KMT2ACCNB2CDK1
SCHEMBL17026924 0.74 ASIC3 (0.45) KIF11MEN1KMT2AKDM4EMAPT
SCHEMBL17027128 0.72 ALOX5 (0.49) KIF11MEN1KMT2ACCNB2CDK1
SCHEMBL17026987 0.72 MEN1 (0.46) KIF11MEN1KMT2ACCNB2CDK1
SCHEMBL17027263 0.72 MEN1 (0.45) KIF11MEN1KMT2ACCNB2CDK1
SCHEMBL17027039 0.70 MEN1 (0.43) KIF11MEN1KMT2ACCNB2CDK1
SCHEMBL10253400 0.68 KIF11 (1.00) KIF11MEN1KMT2AKDM4ECHUK
SCHEMBL412032 0.66 KIF11 (0.81) KIF11MEN1KMT2AKDM4ECHUK
SCHEMBL29507666 0.66 KIF11 (0.81) KIF11MEN1KMT2AKDM4ECHUK

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-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 — — EP disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 — — WO disclosed
Send feedback