SCHEMBL29925974

SCHEMBL29925974

NC(=O)c1cc2cncnc2cn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.45
EGFR P00533 9/20 0.44
ADORA3 P0DMS8 1/20 0.40
TSHR P16473 1/20 0.40
MC4R P32245 1/20 0.40
ADRA1A P35348 1/20 0.40
MC3R P41968 1/20 0.40
SIRT6 Q8N6T7 2/20 0.39
LMNA P02545 1/20 0.37
AR P10275 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
IMPDH2 P12268 1/20 0.34
PRMT3 O60678 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
SCHEMBL31712846 0.79 LCK (0.40) LCKEGFRADORA3TSHRMC4R
SCHEMBL29926108 0.78 LCK (0.49) LCKEGFRLMNAAR
SCHEMBL5173369 0.76 LCK (0.56) LCKEGFRADORA3TSHRMC4R
SCHEMBL29649950 0.74 EGFR (0.56) LCKEGFRARPIK3CDPIK3CA
SCHEMBL7145196 0.74 LCK (0.47) LCKTSHRLMNAARKMT2A
SCHEMBL5676295 0.74 EGFR (0.56) LCKEGFRARPIK3CDPIK3CA
SCHEMBL27881435 0.72 EGFR (0.54) LCKEGFRARPIK3CDPIK3CA
SCHEMBL5566411 0.71 LCK (0.41) LCKEGFRADORA3TSHRMC4R
SCHEMBL20950927 0.71 LCK (0.49) LCKADORA3TSHRMC4RADRA1A
SCHEMBL6364161 0.71 EGFR (0.57) EGFRPIK3CDPIK3CA

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
CN-115315424-A 2-methyl-aza-quinazolines 拜耳公司 2022-11-08 CN claimed
CN-115315424-A 2-methyl-aza-quinazolines 拜耳公司 2022-11-08 CN disclosed