SCHEMBL25328688

SCHEMBL25328688

Clc1cnc(Nc2cn[nH]c2)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.63
CDK1 P06493 2/20 0.63
KDR P35968 2/20 0.63
CCNK O75909 12/20 0.56
CDK12 Q9NYV4 12/20 0.56
CDK7 P50613 12/20 0.56
CCNH P51946 11/20 0.56
CCNT1 O60563 10/20 0.56
CDK9 P50750 10/20 0.56
MNAT1 P51948 10/20 0.56
CCNE1 P24864 8/20 0.56
CDK2 P24941 8/20 0.56
CRBN Q96SW2 1/20 0.54
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52

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
SCHEMBL30524068 0.82 EGFR (0.66) EGFRCDK1KDRCCNKCDK12
SCHEMBL20204774 0.81 EGFR (0.67) EGFRCDK1KDRCCNKCDK12
SCHEMBL29613510 0.81 EGFR (0.67) EGFRCDK1KDRCCNKCDK12
SCHEMBL19054611 0.81 CDK7 (0.64) EGFRCDK1KDRCCNKCDK12
SCHEMBL20445168 0.79 CDK1 (0.58) EGFRCDK1KDRCCNKCDK12
SCHEMBL17150617 0.79 EGFR (0.72) EGFRCDK1KDRCCNKCDK12
SCHEMBL30361949 0.79 EGFR (0.65) EGFRCDK1KDRCCNKCDK12
SCHEMBL23625001 0.79 EGFR (0.65) EGFRCDK1KDRCCNKCDK12
SCHEMBL29174718 0.78 EGFR (0.57) EGFRCDK1KDRCDK7CCNH
SCHEMBL24900623 0.77 CDK1 (0.60) EGFRCDK1KDRCCNKCDK12

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-2023143482-A1 2-AMINOPYRIMIDINE COMPOUND OR SALT, PREPARATION METHOD THEREFOR AND USE THEREOF 上海辉启生物医药科技有限公司 2023-08-03 WO disclosed