SCHEMBL29645816

SCHEMBL29645816

Cn1cc(-c2nc3c4cccc(C(F)(F)F)c4nc(N[C@@H]4CCNC4=O)n3n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.36
CCNK O75909 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
BRD4 O60885 7/20 0.35
CREBBP Q92793 7/20 0.35
SCN9A Q15858 1/20 0.35
ADORA3 P0DMS8 7/20 0.35
ADORA2A P29274 7/20 0.35
ADORA1 P30542 7/20 0.35
ADORA2B P29275 5/20 0.35
KCNT1 Q5JUK3 1/20 0.34
SYK P43405 1/20 0.34
SCD O00767 1/20 0.34
P2RX7 Q99572 1/20 0.33

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
SCHEMBL22988029 1.00 CCNT1 (0.36) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL29645772 0.95 CCNK (0.38) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL22988096 0.95 CCNK (0.38) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL29645785 0.94 CCNT1 (0.36) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL29645447 0.94 CCNT1 (0.36) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL22987956 0.94 CCNT1 (0.36) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL22980984 0.94 CCNT1 (0.36) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL29645793 0.91 CCNK (0.38) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL22988396 0.91 CCNK (0.38) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL22988453 0.90 BRD4 (0.36) CCNT1CCNKCDK7CDK9CCNH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 CN claimed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP claimed
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN claimed