SCHEMBL30833703

SCHEMBL30833703

NS(=O)(=O)Cc1ccccc1Nc1nc(Cl)ncc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
ULK1 O75385 3/20 0.43
PTK2 Q05397 7/20 0.42
CDC7 O00311 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
MAPK3 P27361 2/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
KDR P35968 2/20 0.37
AURKB Q96GD4 1/20 0.37
IGF1R P08069 1/20 0.37
YTHDC1 Q96MU7 1/20 0.37

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
SCHEMBL30833659 0.85 AURKA (0.48) TRPV1CDC7CDK7CDK9AURKB
SCHEMBL30833643 0.84 ALK (0.43) TRPV1CDK7CDK9AURKB
SCHEMBL30833765 0.82 PKMYT1 (0.38) TRPV1CDK7CDK9CDK2AURKB
SCHEMBL30833796 0.82 IGF1R (0.46) TRPV1CDK7CDK9CDK1CDK2
SCHEMBL30833733 0.82 PIN1 (0.36) TRPV1CDK7CDK9AURKBYTHDC1
SCHEMBL25278838 0.80 ULK1 (0.45) ULK1PTK2CDC7ROCK2MAP4K4
SCHEMBL30833638 0.80 PTK2 (0.45) ULK1PTK2CDC7ROCK2MAP4K4
SCHEMBL21847031 0.78 PTK2 (0.52) ULK1PTK2MAPK3LRRK2
SCHEMBL29832770 0.78 PTK2 (0.52) ULK1PTK2MAPK3LRRK2
SCHEMBL375824 0.76 PTK2 (0.46) ULK1PTK2CDC7ROCK2MAP4K4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed