SCHEMBL24588136

SCHEMBL24588136

N#Cc1ccc2c(-c3nc(N)ncc3C(F)(F)F)c[nH]c2n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNK O75909 14/20 0.59
CDK12 Q9NYV4 14/20 0.59
CCNT1 O60563 7/20 0.59
CCNE1 P24864 7/20 0.59
CDK2 P24941 7/20 0.59
CDK9 P50750 7/20 0.59
CDK7 P50613 8/20 0.41
CCNH P51946 8/20 0.41
MNAT1 P51948 7/20 0.41
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CLK1 P49759 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38

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
SCHEMBL26046133 0.79 CCNK (0.83) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30456540 0.78 CCNK (0.72) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25364470 0.78 CCNK (0.72) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25597596 0.78 CCNK (0.60) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21188433 0.76 CDK5 (0.38) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL20846353 0.76 CDK2 (0.48) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839545 0.75 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24588737 0.75 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30204070 0.75 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24583273 0.75 PIK3CA (0.43) CCNKCDK12CCNT1CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4269403-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 EP disclosed
WO-2022134642-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 湃隆生物科技有限公司(香港) 2022-06-30 WO disclosed