SCHEMBL30867213

SCHEMBL30867213

O=c1[nH]cccc1-c1nc(NCCc2c[nH]c3cc(OC(F)(F)F)ccc23)c2ncsc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.41
CYP1A2 P05177 8/20 0.41
CYP3A4 P08684 8/20 0.41
CYP2D6 P10635 8/20 0.41
CYP2C19 P33261 8/20 0.41
USP2 O75604 6/20 0.41
CLK4 Q9HAZ1 5/20 0.41
TP53 P04637 3/20 0.41
MAPK1 P28482 3/20 0.41
ALOX15 P16050 3/20 0.41
TRPV1 Q8NER1 5/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
GLA P06280 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C9 P11712 5/20 0.36
TSHR P16473 2/20 0.36
HIF1A Q16665 2/20 0.36

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
SCHEMBL30867175 0.85 NQO1 (0.46) CDK2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27318674 0.85 NQO1 (0.46) CDK2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27320694 0.85 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C19USP2
SCHEMBL30867199 0.85 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C19USP2
SCHEMBL27319983 0.83 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19USP2
SCHEMBL27320098 0.82 CDK2 (0.43) CDK2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL30867201 0.82 CDK2 (0.43) CDK2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27319910 0.82 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2D6CYP2C19USP2
SCHEMBL30867174 0.81 CDK2 (0.39) CDK2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27320844 0.81 CDK2 (0.39) CDK2CYP1A2CYP3A4CYP2D6CYP2C19

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
EP-4598931-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2025-08-13 EP disclosed
WO-2024076300-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2024-04-11 WO disclosed