SCHEMBL18629277

SCHEMBL18629277

CN1CCCC(CNc2ccnc(-c3c[nH]c4ncc(Cl)cc34)n2)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 3/20 0.46
▸ PIM2 Q9P1W9 3/20 0.46
▸ CCNT1 O60563 5/20 0.42
▸ CDK9 P50750 5/20 0.42
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ CDC42BPB Q9Y5S2 1/20 0.41
▸ CCNK O75909 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CDK12 Q9NYV4 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
SCHEMBL10304511 0.88 CCNT1 (0.48) CCNT1CDK9
SCHEMBL10008352 0.87 CCNT1 (0.40) CCNT1
SCHEMBL10303502 0.85 CCNT1 (0.42) CCNT1CDK9
SCHEMBL15723264 0.85 CCNT1 (0.42) CCNT1CDK9
SCHEMBL10007567 0.85 CCNT1 (0.39) CCNT1CDK9
SCHEMBL10007848 0.85 JAK3 (0.40) CCNT1
SCHEMBL10007573 0.85 CCNT1 (0.39) CCNT1CDK9
SCHEMBL10007851 0.85 JAK3 (0.40) CCNT1
SCHEMBL10007872 0.84 GAA (0.42) CCNT1CDK9
SCHEMBL10007867 0.84 GAA (0.42) CCNT1CDK9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3427738-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2021-12-01 — — EP disclosed
EP-3427738-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2019-01-16 — — EP disclosed
EP-3141252-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-07-25 — — EP disclosed
EP-3141252-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Inc. (US) 2017-03-15 — — EP disclosed
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