SCHEMBL12615134

SCHEMBL12615134

CCCc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.55
▸ CCND3 P30281 2/20 0.55
▸ CDK4 P11802 1/20 0.55
▸ CCND1 P24385 1/20 0.55
▸ CCND2 P30279 1/20 0.55
▸ TP53 P04637 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ LRRK2 Q5S007 1/20 0.52
▸ IGF1R P08069 4/20 0.51
▸ STAT6 P42226 4/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ CCNK O75909 1/20 0.49
▸ CCNA2 P20248 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ CDK6 Q00534 1/20 0.49
▸ INSR P06213 1/20 0.48
▸ PLK4 O00444 1/20 0.48

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
SCHEMBL12615133 0.79 SMN1; SMN2 (0.47) —
SCHEMBL29972048 0.77 PLK4 (0.68) SYKTP53MAPTMAPK1IGF1R
SCHEMBL13061369 0.76 MAPT (0.52) TP53MAPTMAPK1
SCHEMBL19203865 0.75 CCNK (0.67) SYKCCND3LRRK2IGF1RCCNK
SCHEMBL18757010 0.73 JAK2 (0.58) TP53MAPTMAPK1STAT6INSR
SCHEMBL29777450 0.73 SYK (0.60) SYKCCND3CDK4CCND1CCND2
SCHEMBL7980595 0.73 MAPT (0.62) SYKTP53MAPTMAPK1PLK4
SCHEMBL23704665 0.72 CCNK (0.65) SYKCCND3TP53MAPTMAPK1
SCHEMBL27020249 0.72 FLT3 (0.61) SYKCCND3CDK4CCND1CCND2
SCHEMBL19203832 0.72 FGFR1 (0.64) SYKIGF1RSTAT6

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-2688870-A1 HETEROCYCLIC AMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-01-29 — — EP disclosed
WO-2012126922-A1 HETEROCYCLIC AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-27 — — WO disclosed
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