SCHEMBL7837765

SCHEMBL7837765

CC(C)c1cnc(NC(=O)N2CCC(COc3ccc(F)cc3)CC2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.45
CDK2 P24941 3/20 0.45
CDK5 Q00535 3/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CCNT1 O60563 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41

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
SCHEMBL7083762 0.83 CDK2 (0.49) CCNE1CDK2CDK5
SCHEMBL6287957 0.81 CYP2C19 (0.53) CCNE1CDK2CDK5CYP2C9CYP2C19
SCHEMBL6288095 0.80 CDK2 (0.46) CCNE1CDK2CDK5PSEN1PSEN2
SCHEMBL6285598 0.79 PANK3 (0.58) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL6286647 0.78 CDK2 (0.58) CCNE1CDK2CDK5PSEN1PSEN2
SCHEMBL6282734 0.73 CDK2 (0.61) CCNE1CDK2CDK5PSEN1PSEN2
SCHEMBL27570633 0.73 CDK2 (0.61) CCNE1CDK2CDK5PSEN1PSEN2
SCHEMBL6287931 0.73 KMT2A (0.54) CCNE1CDK2CDK5ALDH1A1SMN1; SMN2
SCHEMBL6283976 0.72 CDK2 (0.59) CCNE1CDK2CDK5PSEN1PSEN2
SCHEMBL6284830 0.72 CDK2 (0.59) CCNE1CDK2CDK5CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124811-A1 2-UREIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-08-22 EP claimed
WO-2000026203-A1 2-UREIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-05-11 WO claimed
EP-1124811-A1 2-UREIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-08-22 EP disclosed
WO-2000026203-A1 2-UREIDO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-05-11 WO disclosed