SCHEMBL7217987

SCHEMBL7217987

Cc1c(-c2c[nH]c(NC(C)c3ccc(F)cc3)n2)ccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
GBA1 P04062 1/20 0.36
MAOA P21397 1/20 0.36
GPR39 O43194 1/20 0.36
EGFR P00533 2/20 0.35
GRK6 P43250 2/20 0.35
AURKA O14965 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ATP1A1 P05023 1/20 0.34
ATP1B1 P05026 1/20 0.34
ATP1A3 P13637 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
SCHEMBL7216137 0.89 PDE9A (0.37) KMT2AGRK6SLC6A2SLC6A4ATP1A1
SCHEMBL7222469 0.86 CDK2 (0.34) CCNE1CDK2MEN1KMT2ACCNT1
SCHEMBL7215977 0.79 NTRK1 (0.39) CCNE1CDK2MEN1KMT2ACLK1
SCHEMBL7215523 0.77 SOS1 (0.37) MEN1KMT2ASOS1GAA
SCHEMBL7221634 0.75 ATP1A1 (0.37) CCNE1CDK2MEN1KMT2ACCNT1
SCHEMBL7222409 0.67 APP (0.39) KMT2AGPR39EGFR
SCHEMBL7217985 0.67 ATP1A1 (0.48) CCNE2CCNE1CDK2MEN1KMT2A
SCHEMBL14134232 0.66 CYP1A2 (0.48) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL7216330 0.65 CD38 (0.40) MEN1KMT2AGPR39CYP3A4CYP2C9
SCHEMBL14048209 0.63 ALOX15 (0.45) CDK2MEN1KMT2ACCNT1CDK9

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-6596739-B2 Anticarcinogenic agents, cardiovascular disorders and antiinflammatory agents THE PROCTER & GAMBLE COMPANY 2003-07-22 US claimed