SCHEMBL30101979

SCHEMBL30101979

O=c1[nH]cnc2cnc(-c3ccc(C(F)(F)F)cc3)cc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.59
ACVR1 Q04771 5/20 0.48
TEK Q02763 3/20 0.44
KDM4A O75164 1/20 0.43
KDM4B O94953 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
KDM3A Q9Y4C1 1/20 0.43
IP6K1 Q92551 1/20 0.43
CHEK1 O14757 1/20 0.42
PIM1 P11309 1/20 0.42
AKT1 P31749 1/20 0.42
FLT3 P36888 1/20 0.42
PIM3 Q86V86 1/20 0.42
COMT P21964 1/20 0.41
EPHB4 P54760 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40

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
SCHEMBL4058328 0.78 PDE2A (0.47) PARP1COMT
SCHEMBL1360723 0.78 PARP1 (0.77) PARP1ACVR1IP6K1CHEK1PIM1
SCHEMBL29966835 0.75 PARP1 (1.00) PARP1TEKKDM4AKDM4BKDM5C
SCHEMBL4619270 0.75 PARP1 (1.00) PARP1TEKKDM4AKDM4BKDM5C
SCHEMBL31718112 0.74 PARP1 (0.58) PARP1ACVR1TEKIP6K1CHEK1
SCHEMBL31058347 0.73 PARP1 (0.68) PARP1ACVR1TEKKDM4AKDM4B
SCHEMBL23950529 0.71 PIM1 (0.45) PARP1PIM1
SCHEMBL30101918 0.71 PIM1 (0.45) PARP1PIM1
SCHEMBL30683274 0.70 PARP1 (0.49) PARP1ACVR1TEKKDM4AKDM4B
SCHEMBL869256 0.70 PARP1 (0.59) PARP1ACVR1KDM4AKDM4BKDM5C

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-115443276-B Pyridopyrimidinone derivatives and their use as arene receptor modulators 东亚ST株式会社 2025-04-18 CN disclosed
CN-115443276-A Pyridopyrimidinone derivatives and their use as modulators of aromatic hydrocarbon receptors 东亚ST株式会社 2022-12-06 CN disclosed