SCHEMBL29646167

SCHEMBL29646167

CCn1cc(-c2nc3c4cccc(C(F)(F)F)c4nc(N[C@@H]4CNCCNC4=O)n3n2)cn1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNK O75909 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CCNH P51946 1/20 0.31
MNAT1 P51948 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
ADORA2A P29274 2/20 0.30
ADORA2B P29275 2/20 0.30
ADORA1 P30542 2/20 0.30
KDR P35968 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL22988129 1.00 PIM1 (0.33) PIM1PDE3BPDE3APIM3PIM2
SCHEMBL22988486 0.91 PIM1 (0.34) PIM1PIM3PIM2CCNT1CCNK
SCHEMBL29645793 0.91 CCNK (0.38) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL22988396 0.91 CCNK (0.38) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL22979685 0.90 PIM1 (0.34) PIM1PDE3BPDE3APIM3PIM2
SCHEMBL22979188 0.90 PIM1 (0.34) PIM1PIM3PIM2
SCHEMBL29646112 0.90 PIM1 (0.34) PIM1PIM3PIM2
SCHEMBL29645885 0.90 PIM1 (0.34) PIM1PIM3PIM2ADORA2AADORA2B
SCHEMBL22979833 0.89 MAP4K3 (0.32) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL22979392 0.89 PDE3B (0.33) PDE3BPDE3ACCNT1CCNKCDK7

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 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