SCHEMBL4684095

SCHEMBL4684095

CNCCCn1cc(C2=C(c3cccc(Br)c3)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 9/20 0.77
CDK4 P11802 1/20 0.65
PRKACA P17612 1/20 0.65
PRKACG P22612 1/20 0.65
PRKACB P22694 1/20 0.65
CCND1 P24385 1/20 0.65
GSK3B P49841 6/20 0.65
QPCT Q16769 4/20 0.57
PIM1 P11309 1/20 0.53

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 0.85 CAMK2D (0.69) CAMK2DCDK4PRKACAPRKACGPRKACB
SCHEMBL4679205 0.83 CAMK2D (0.75) CAMK2DGSK3BQPCT
SCHEMBL7059398 0.83 PIM1 (0.75) CAMK2DCDK4PRKACAPRKACGPRKACB
Hydrochloric Acid SCHEMBL8163111 0.82 PRKACA (0.74) CAMK2DCDK4PRKACAPRKACGPRKACB
SCHEMBL8161270 0.81 GSK3B (0.74) CAMK2DCDK4CCND1GSK3B
SCHEMBL4679346 0.81 CAMK2D (0.68) CAMK2DCDK4PRKACAPRKACGPRKACB
SCHEMBL4676697 0.80 CAMK2D (0.67) CAMK2DCDK4PRKACAPRKACGPRKACB
SCHEMBL9088139 0.79 PRKACA (0.81) CAMK2DCDK4PRKACAPRKACGPRKACB
SCHEMBL9086560 0.79 PRKACA (0.81) CAMK2DCDK4PRKACAPRKACGPRKACB
SCHEMBL9148747 0.79 PRKACA (1.00) CAMK2DCDK4PRKACAPRKACGPRKACB

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