SCHEMBL22979062

SCHEMBL22979062

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 5/20 0.37
BRD4 O60885 3/20 0.35
PIK3CD O00329 13/20 0.35
PIK3R1 P27986 5/20 0.35
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 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
SCHEMBL22979954 0.90 PIK3CD (0.34) PIK3CD
SCHEMBL22988241 0.90 RET (0.36) CREBBPBRD4PIK3CDPIK3R1CCNK
SCHEMBL22979512 0.89 ADORA3 (0.34) CREBBPBRD4ADORA3ADORA2AADORA1
SCHEMBL22979734 0.89 CREBBP (0.35) CREBBPBRD4PIK3CDADORA3ADORA2A
SCHEMBL22979015 0.88 UCHL1 (0.33) PIK3CD
SCHEMBL22979352 0.87 BRD4 (0.32) CREBBPBRD4ADORA3ADORA2AADORA1
SCHEMBL22979950 0.87 CREBBP (0.35) CREBBPBRD4PIK3CDPIK3R1ADORA3
SCHEMBL22979177 0.86 CREBBP (0.33) CREBBPBRD4ADORA3ADORA2AADORA1
SCHEMBL22988494 0.85 CHEK1 (0.34) CREBBPBRD4PIK3CDPIK3R1ADORA3
SCHEMBL29645422 0.85 CHEK1 (0.34) CREBBPBRD4PIK3CDPIK3R1ADORA3

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-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO disclosed