SCHEMBL13754630

SCHEMBL13754630

CSc1cnc(-c2ncc(C(C)C)s2)s1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 7/20 0.37
▸ CDK2 P24941 7/20 0.37
▸ CDK5 Q00535 7/20 0.37
▸ FDPS P14324 1/20 0.35
▸ CCNT1 O60563 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CDK7 P50613 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ CCNH P51946 1/20 0.31
▸ MNAT1 P51948 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19915568 0.74 CDK2 (0.46) CCNE1CDK2CDK5FDPSCCNT1
SCHEMBL21125741 0.72 CCNE1 (0.33) CCNE1CDK2CDK5
SCHEMBL889350 0.68 FDPS (0.39) CCNE1CDK2CDK5FDPSCCNT1
SCHEMBL2819462 0.68 ALDH1A1 (0.47) CCNE1CDK2CDK5CCNT1ALDH1A1
SCHEMBL10147379 0.67 RAB9A (0.50) CCNE1CDK2CDK5FDPSCCNT1
SCHEMBL890250 0.67 FDPS (0.38) CCNE1CDK2CDK5FDPSCCNT1
SCHEMBL12599254 0.67 SMN1; SMN2 (0.42) CCNE1CDK2CDK5FDPSCCNT1
SCHEMBL16167911 0.66 CCNE1 (0.36) CCNE1CDK2CDK5FDPSCCNT1
SCHEMBL12206091 0.65 — —
SCHEMBL2628925 0.65 — —

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
WO-2009098250-A1 PERYLENE-IMIDE SEMICONDUCTOR POLYMERS BASF SE (DE) 2009-08-13 — — WO disclosed
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