SCHEMBL12466557

SCHEMBL12466557

CCc1cccc(CC)c1Nc1ccc(N2CCN(C)CC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 10/20 0.55
ALK Q9UM73 3/20 0.51
JAK2 O60674 1/20 0.51
SRC P12931 1/20 0.51
TNK2 Q07912 1/20 0.51
INSR P06213 2/20 0.50
NPM1 P06748 2/20 0.50
HTR6 P50406 1/20 0.49
CCNT1 O60563 1/20 0.48
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
CDK9 P50750 1/20 0.48
CDK6 Q00534 1/20 0.48
CDK11A Q9UQ88 1/20 0.48
DYRK1A Q13627 1/20 0.48
SIRT6 Q8N6T7 1/20 0.48
DCLK1 O15075 2/20 0.48
MAPK7 Q13164 2/20 0.48
LRRK2 Q5S007 2/20 0.48
BRD4 O60885 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
SCHEMBL12473971 0.88 ALK (0.53) TTKALKTNK2INSRPTK2
SCHEMBL525859 0.86 TTK (0.44) TTKALKJAK2SRCTNK2
SCHEMBL12500027 0.84 TTK (0.51) TTKALKINSR
SCHEMBL12466371 0.83 TTK (0.54) TTKALKTNK2INSRNPM1
SCHEMBL21566486 0.79 SIRT6 (0.59) HTR6SIRT6BRD4
SCHEMBL20374427 0.78 HTR6 (0.56) TTKALKJAK2SRCTNK2
SCHEMBL12718983 0.76 SIRT6 (0.56) ALKTNK2INSRNPM1HTR6
SCHEMBL17837354 0.76 IRAK4 (0.55) ALKHTR6DYRK1ASIRT6
SCHEMBL30605716 0.75 SIRT6 (0.55) ALKINSRNPM1HTR6CCNT1
SCHEMBL2490291 0.75 TNK2 (0.51) ALKTNK2INSRNPM1HTR6

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-2668190-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2013-12-04 EP claimed
WO-2012101032-A1 TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-08-02 WO claimed