SCHEMBL29645963

SCHEMBL29645963

N#Cc1cccc2c1nc(N[C@@H]1CNCCNC1=O)n1nc(-c3cnn(C4CC4)c3)nc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.35
KDM5A P29375 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP3A5 P20815 2/20 0.33
CYP3A7 P24462 2/20 0.33
CYP2C19 P33261 2/20 0.33
PDK4 Q16654 2/20 0.33
CYP3A43 Q9HB55 2/20 0.33
ALK Q9UM73 2/20 0.32
MET P08581 1/20 0.30
AXL P30530 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
SCHEMBL22988279 1.00 PAK1 (0.35) PAK1KDM5ACYP1A2CYP3A4CYP3A5
SCHEMBL22979141 0.97 KDM5A (0.35) PAK1KDM5ACYP1A2CYP3A4CYP3A5
SCHEMBL22979232 0.90 KDM5A (0.36) PAK1KDM5ACYP1A2CYP3A4CYP3A5
SCHEMBL29645422 0.90 CHEK1 (0.34)
SCHEMBL22988494 0.90 CHEK1 (0.34)
SCHEMBL22988292 0.89 CYP1A2 (0.33) CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19
SCHEMBL22979075 0.89 PAK1 (0.34) PAK1CYP1A2CYP3A4CYP3A5CYP3A7
SCHEMBL22988293 0.89 CYP1A2 (0.33) CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19
SCHEMBL29646077 0.89 PAK1 (0.34) PAK1CYP1A2CYP3A4CYP3A5CYP3A7
SCHEMBL22979051 0.88 KDM5A (0.38) PAK1KDM5ACYP1A2CYP3A4CYP3A5

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