SCHEMBL4679205

SCHEMBL4679205

C#CCCCCn1cc(C2=C(c3cccc(Br)c3)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 10/20 0.75
CCNT1 O60563 1/20 0.60
CCNA2 P20248 1/20 0.60
CDK2 P24941 1/20 0.60
CDK9 P50750 1/20 0.60
GSK3B P49841 3/20 0.54
QPCT Q16769 3/20 0.54

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
SCHEMBL4676702 0.92 CAMK2D (0.69) CAMK2DCCNT1CCNA2CDK2CDK9
SCHEMBL4676697 0.89 CAMK2D (0.67) CAMK2DCCNT1CCNA2CDK2CDK9
SCHEMBL13241411 0.88 CCNT1 (0.76) CAMK2DCCNT1CCNA2CDK2CDK9
SCHEMBL13241410 0.87 CCNT1 (0.74) CAMK2DCCNT1CCNA2CDK2CDK9
SCHEMBL4679346 0.86 CAMK2D (0.68) CAMK2DCDK2GSK3BQPCT
SCHEMBL13241407 0.84 CCNT1 (0.70) CAMK2DCCNT1CCNA2CDK2CDK9
SCHEMBL4684095 0.83 CAMK2D (0.77) CAMK2DGSK3BQPCT
SCHEMBL4675948 0.81 CAMK2D (0.57) CAMK2DCCNT1CCNA2CDK2CDK9
SCHEMBL4675940 0.78 CAMK2D (0.56) CAMK2DCCNT1CCNA2CDK2CDK9
SCHEMBL8161270 0.78 GSK3B (0.74) CAMK2DCDK2GSK3B

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-1513520-B1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-09-24 EP disclosed