SCHEMBL30691990

SCHEMBL30691990

Cc1cc(-c2cn(C)cn2)[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
LRRK2 Q5S007 1/20 0.35
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CHEK1 O14757 1/20 0.32
PIM1 P11309 1/20 0.32
TSHR P16473 1/20 0.32
MTOR P42345 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL30691991 0.77 CYP2E1 (0.43) KDM2BPHF8CYP2C9CYP2C19CYP2E1
SCHEMBL15374805 0.72 SMN1; SMN2 (0.37) TSHR
SCHEMBL29950503 0.72
SCHEMBL15926104 0.70 CCR1 (0.57) CYP2A6PIM1
SCHEMBL12610 0.70
SCHEMBL15504132 0.69 METAP2 (0.31) PIM1
Hydrochloric Acid SCHEMBL22027392 0.68
SCHEMBL1345649 0.68 LPO (0.38) CCNCCDK8PIM1
SCHEMBL2623420 0.67 KDM4E (0.46) LRRK2PIM1TDP1
SCHEMBL1343655 0.67 PIM1 (0.47) CYP2A6CHEK1PIM1TDP1

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-117321055-A Modulators of STING (interferon gene stimulators) 辉瑞公司 2023-12-29 CN disclosed