SCHEMBL18536680

SCHEMBL18536680

CCCCOC(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 17/20 0.59
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
MAPK1 P28482 1/20 0.41
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL18536731 0.92 ENPP2 (0.69) ENPP2
SCHEMBL15874887 0.91 ENPP2 (0.57) ENPP2DDB1CRBNMAPK1
SCHEMBL15874908 0.88 ENPP2 (0.54) ENPP2DDB1CRBNMAPK1
SCHEMBL18536835 0.87 ENPP2 (0.56) ENPP2DDB1CRBNMAPK1CDK1
SCHEMBL19001278 0.86 ENPP2 (0.68) ENPP2DDB1CRBNMAPK1
SCHEMBL15875461 0.84 ENPP2 (0.69) ENPP2DDB1CRBNMAPK1
SCHEMBL15875635 0.84 ENPP2 (0.55) ENPP2DDB1CRBN
SCHEMBL15875522 0.84 ENPP2 (0.69) ENPP2
SCHEMBL16474045 0.84 ENPP2 (0.51) ENPP2DDB1CRBNMAPK1
SCHEMBL15883204 0.84 ENPP2 (0.69) ENPP2

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-2943494-B1 PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN LILLY CO ELI (US) 2017-02-22 EP disclosed