SCHEMBL15827606

SCHEMBL15827606

Cc1cnc(-c2ccc([S+](N)[O-])s2)nc1Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.54
▸ CDK2 P24941 3/20 0.54
▸ IGF1R P08069 11/20 0.49
▸ NTRK1 P04629 1/20 0.49

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
SCHEMBL15827593 0.82 CCNA2 (0.54) CCNA2CDK2IGF1RNTRK1
SCHEMBL12784486 0.81 CCNA2 (0.66) CCNA2CDK2IGF1RNTRK1
SCHEMBL1164495 0.81 CCNA2 (0.80) CCNA2CDK2IGF1RNTRK1
SCHEMBL12783910 0.81 CCNA2 (0.54) CCNA2CDK2IGF1RNTRK1
SCHEMBL12784848 0.80 CCNA2 (0.67) CCNA2CDK2IGF1RNTRK1
SCHEMBL2069684 0.80 NTRK1 (0.54) CCNA2CDK2IGF1RNTRK1
SCHEMBL15809733 0.80 NTRK1 (0.54) CCNA2CDK2IGF1RNTRK1
SCHEMBL1164939 0.80 NTRK1 (0.54) CCNA2CDK2IGF1RNTRK1
SCHEMBL1164225 0.79 IGF1R (0.57) CCNA2CDK2IGF1RNTRK1
SCHEMBL12783907 0.79 CCNA2 (0.65) CCNA2CDK2IGF1RNTRK1

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-2464641-B1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMA (US) 2014-06-25 — — EP disclosed
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