SCHEMBL3837346

SCHEMBL3837346

NC(=O)Nc1ccc(-c2ccc(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)c3c[nH]cc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.54
CDK7 P50613 3/20 0.45

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
SCHEMBL3856005 0.86 CHEK1 (0.58) CHEK1CDK7
Hydrochloric Acid SCHEMBL3042165 0.82 CHEK1 (0.51) CHEK1CDK7
SCHEMBL5132488 0.81 CHEK1 (0.56) CHEK1CDK7
SCHEMBL5132784 0.80 CHEK1 (0.68) CHEK1CDK7
SCHEMBL5050613 0.79 CHEK1 (0.54) CHEK1CDK7
SCHEMBL3857300 0.78 CHEK1 (0.51) CHEK1CDK7
SCHEMBL5043879 0.75 CHEK1 (0.49) CHEK1CDK7
SCHEMBL5046867 0.74 CHEK1 (0.53) CHEK1CDK7
SCHEMBL5050598 0.74 CHEK1 (0.53) CHEK1CDK7
Hydrochloric Acid SCHEMBL3043560 0.74 CHEK1 (0.47) CHEK1

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-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed