SCHEMBL5195263

SCHEMBL5195263

CCC(C)n1cnc2c(Nc3ccc(OC(F)(F)F)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc21

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.62
CDK1 P06493 6/20 0.60
CDK2 P24941 12/20 0.54
CCNE1 P24864 11/20 0.54
PDGFRA P16234 11/20 0.54
CCNE2 O96020 2/20 0.51
CCNA2 P20248 1/20 0.51
CCNA1 P78396 1/20 0.51
CCNT1 O60563 1/20 0.51
CCNT2 O60583 1/20 0.51
CDK9 P50750 1/20 0.51
PRKCA P17252 1/20 0.51

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
SCHEMBL7458142 1.00 FLT3 (0.62) FLT3CDK1CDK2CCNE1PDGFRA
Hydrochloric Acid SCHEMBL5628796 0.99 FLT3 (0.61) FLT3CDK1CDK2CCNE1PDGFRA
Hydrochloric Acid SCHEMBL27570962 0.99 FLT3 (0.61) FLT3CDK1CDK2CCNE1PDGFRA
SCHEMBL5195357 0.93 CDK1 (0.61) FLT3CDK1CDK2CCNE1PDGFRA
SCHEMBL5195354 0.93 CDK1 (0.61) FLT3CDK1CDK2CCNE1PDGFRA
Hydrochloric Acid SCHEMBL5628157 0.92 CDK1 (0.60) FLT3CDK1CDK2CCNE1PDGFRA
Hydrochloric Acid SCHEMBL5628160 0.92 CDK1 (0.60) FLT3CDK1CDK2CCNE1PDGFRA
SCHEMBL7460046 0.86 CDK2 (0.70) FLT3CDK1CDK2CCNE1PDGFRA
SCHEMBL5197008 0.86 CDK2 (0.70) FLT3CDK1CDK2CCNE1PDGFRA
Hydrochloric Acid SCHEMBL5628928 0.85 CDK2 (0.69) FLT3CDK1CDK2CCNE1PDGFRA

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-1183256-B1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2007-08-22 EP disclosed