SCHEMBL12606369

SCHEMBL12606369

OCc1cccc2[nH]cc(-c3cc4cccnc4[nH]3)c12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 11/20 0.50
▸ CCNE1 P24864 8/20 0.45
▸ CDK2 P24941 8/20 0.45
▸ CCNT1 O60563 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ CCND1 P24385 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44

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
SCHEMBL1748617 0.78 RIPK1 (0.57) RIPK1CCNE1CDK2CDK5CDK5R1
SCHEMBL27714279 0.77 RIPK1 (0.55) RIPK1CCNE1CDK2CDK1CCNB1
SCHEMBL26174487 0.74 RIPK1 (0.57) RIPK1CCNE1CDK2CCNT1CDK9
SCHEMBL7151357 0.72 RIPK1 (0.57) RIPK1CDK1CCNB1
SCHEMBL29460640 0.69 RIPK1 (0.56) RIPK1CDK1CCNB1
SCHEMBL1777558 0.68 RIPK1 (0.50) RIPK1
SCHEMBL15436394 0.68 CDC7 (0.50) CCNE1CDK2CCNT1CDK9CDK5
SCHEMBL3009852 0.68 RIPK1 (0.74) RIPK1CDK1CCNB1CDK5CDK5R1
SCHEMBL7168363 0.68 RIPK1 (0.46) RIPK1CCNE1CDK2
SCHEMBL16493681 0.68 RIPK1 (0.45) RIPK1CCNE1CDK2CDK1CCNB1

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
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 — — US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 — — US disclosed
Send feedback