SCHEMBL29645522

SCHEMBL29645522

CC(C)n1cc(-c2nc3c4cccc(C(F)(F)F)c4nc(N[C@@H]4CNCCNC4=O)n3n2)cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
AURKB Q96GD4 2/20 0.32
AURKA O14965 1/20 0.32
PDPK1 O15530 1/20 0.32
RPS6KB1 P23443 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 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
FLT3 P36888 2/20 0.31

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
SCHEMBL22979392 1.00 PDE3B (0.33) PDE3BPDE3AJAK2JAK1TYK2
SCHEMBL22988441 1.00 PDE3B (0.33) PDE3BPDE3AJAK2JAK1TYK2
SCHEMBL29645793 0.92 CCNK (0.38) BRD4CREBBPCCNT1CCNKCDK7
SCHEMBL22988396 0.92 CCNK (0.38) BRD4CREBBPCCNT1CCNKCDK7
SCHEMBL29645907 0.91 JAK2 (0.34) JAK2JAK1TYK2JAK3AURKB
SCHEMBL22979336 0.91 JAK2 (0.34) JAK2JAK1TYK2JAK3AURKB
SCHEMBL22979833 0.90 MAP4K3 (0.32) JAK2JAK1TYK2JAK3CCNT1
SCHEMBL22979180 0.90 MAP4K3 (0.32) JAK2JAK1TYK2JAK3CCNT1
SCHEMBL22979193 0.90 ADORA2A (0.34) PDE3BPDE3AJAK2JAK1TYK2
SCHEMBL29648772 0.90 ADORA2A (0.34) PDE3BPDE3AJAK2JAK1TYK2

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