SCHEMBL6039728

SCHEMBL6039728

Cn1cc(-c2nc(NC3CCNCC3)ncc2Cl)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.61
▸ CCNT1 O60563 12/20 0.61
▸ CDK9 P50750 12/20 0.61
▸ CDK7 P50613 11/20 0.61
▸ CCNH P51946 10/20 0.61
▸ MNAT1 P51948 9/20 0.61
▸ CCNE1 P24864 9/20 0.61
▸ CCNK O75909 10/20 0.51
▸ CDK12 Q9NYV4 10/20 0.51
▸ CRBN Q96SW2 1/20 0.50
▸ JUN P05412 4/20 0.49
▸ MAPK8 P45983 4/20 0.49
▸ MAPK9 P45984 4/20 0.49
▸ EGFR P00533 1/20 0.48
▸ MAPK10 P53779 2/20 0.47

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
SCHEMBL19605646 0.83 CDK7 (0.56) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL19600360 0.82 CDK7 (0.56) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL29994336 0.82 CCNT1 (0.59) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL16655358 0.82 CCNT1 (0.59) CDK2CCNT1CDK9CDK7CCNH
Hydrochloric Acid SCHEMBL17688367 0.82 CDK7 (0.55) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL22930831 0.80 EGFR (0.56) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL19580260 0.80 CDK7 (0.53) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL19580261 0.80 CDK7 (0.53) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL6039764 0.78 CDK2 (0.78) CDK2CCNT1CDK9CDK7CCNH
SCHEMBL29994490 0.78 CDK2 (0.78) CDK2CCNT1CDK9CDK7CCNH

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
WO-2006038001-A1 AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS CELLTECH R & D LIMITED (GB) 2006-04-13 — — WO disclosed
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