SCHEMBL29174690

SCHEMBL29174690

N#Cc1ccc2c(-c3nc(Cl)ncc3Cl)c[nH]c2n1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 2/20 0.61
CCNK O75909 14/20 0.43
CDK12 Q9NYV4 14/20 0.43
CCNT1 O60563 12/20 0.43
CDK9 P50750 12/20 0.43
CCNE1 P24864 11/20 0.43
CDK2 P24941 11/20 0.43
CAMKK2 Q96RR4 2/20 0.41
LRRK2 Q5S007 1/20 0.33
CDK7 P50613 9/20 0.33
CCNH P51946 8/20 0.33
CRBN Q96SW2 1/20 0.33
MNAT1 P51948 7/20 0.32

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
SCHEMBL30725493 1.00 RPS6KA5 (0.61) RPS6KA5CCNKCDK12CCNT1CDK9
SCHEMBL31006792 0.80 RPS6KA5 (0.65) RPS6KA5CCNKCDK12CCNT1CDK9
SCHEMBL31006823 0.77 CCNK (0.68) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL31006772 0.76 RPS6KA5 (1.00) RPS6KA5CCNKCDK12CCNT1CDK9
SCHEMBL17490465 0.76 RPS6KA5 (1.00) RPS6KA5CCNKCDK12CCNT1CDK9
SCHEMBL771611 0.71 CAMKK2 (0.55) CDK2CAMKK2LRRK2
SCHEMBL30554764 0.70 RPS6KA5 (0.56) RPS6KA5CCNKCDK12CCNT1CDK9
SCHEMBL21629016 0.70 RPS6KA5 (0.56) RPS6KA5CCNKCDK12CCNT1CDK9
SCHEMBL24588136 0.70 CCNK (0.59) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL517461 0.70 RPS6KA5 (0.66) RPS6KA5CCNKCDK12CCNT1CDK9

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
CN-117430589-A 2-aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-01-23 CN disclosed