SCHEMBL29645796

SCHEMBL29645796

CC[C@H](Nc1nc2c(Br)cccc2c2nc(-c3ccc(OC)cc3OC(F)(F)F)nn12)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.38
LMNA P02545 1/20 0.36
PIP4K2A P48426 1/20 0.34
THRB P10828 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ADORA3 P0DMS8 5/20 0.33
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
MAPT P10636 3/20 0.33
TRPV1 Q8NER1 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2B P29275 2/20 0.32
SCN9A Q15858 2/20 0.32
DGAT2 Q96PD7 1/20 0.32
CSNK1D P48730 1/20 0.32
TP53 P04637 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
SCHEMBL29646087 1.00 CRHR1 (0.38) CRHR1LMNAPIP4K2ATHRBRXFP1
SCHEMBL22979972 1.00 CRHR1 (0.38) CRHR1LMNAPIP4K2ATHRBRXFP1
SCHEMBL22979351 1.00 CRHR1 (0.38) CRHR1LMNAPIP4K2ATHRBRXFP1
SCHEMBL22979349 1.00 CRHR1 (0.38) CRHR1LMNAPIP4K2ATHRBRXFP1
SCHEMBL22979903 0.90 ADORA3 (0.33) CRHR1PIP4K2AADORA3ADORA2AADORA1
SCHEMBL22988084 0.90 ADORA3 (0.33) CRHR1PIP4K2AADORA3ADORA2AADORA1
SCHEMBL29646067 0.90 ADORA3 (0.33) CRHR1PIP4K2AADORA3ADORA2AADORA1
SCHEMBL22979902 0.90 ADORA3 (0.33) CRHR1PIP4K2AADORA3ADORA2AADORA1
SCHEMBL29646154 0.90 ADORA3 (0.33) CRHR1PIP4K2AADORA3ADORA2AADORA1
SCHEMBL22979317 0.88 MAPT (0.45) CRHR1LMNATHRBRXFP1ADORA3

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