SCHEMBL31473704

SCHEMBL31473704

C#Cc1ccc2nnn(C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.48
KEAP1 Q14145 1/20 0.48
HCAR3 P49019 1/20 0.39
MAP3K14 Q99558 1/20 0.38
CYP19A1 P11511 4/20 0.37
CYP11B1 P15538 1/20 0.37
GRM4 Q14833 1/20 0.36
NSD2 O96028 1/20 0.36
LMNA P02545 1/20 0.35
NOTUM Q6P988 1/20 0.34
HPGD P15428 3/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 2/20 0.33
HTR7 P34969 1/20 0.33
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL4245748 0.82 SLC9A1 (0.48) SLC9A1KEAP1HCAR3CYP19A1CYP11B1
SCHEMBL17950679 0.73 GABRA5 (0.36) SLC9A1KEAP1HCAR3LMNAPOLB
SCHEMBL3462849 0.73 SLC9A1 (0.55) SLC9A1KEAP1HCAR3CYP19A1CYP11B1
SCHEMBL3192611 0.72 KEAP1 (0.53) SLC9A1KEAP1HCAR3CYP19A1CYP11B1
SCHEMBL17410806 0.72 SLC9A1 (0.53) SLC9A1KEAP1HCAR3CYP19A1CYP11B1
SCHEMBL19848433 0.72 SLC9A1 (0.53) SLC9A1KEAP1HCAR3CYP19A1CYP11B1
SCHEMBL14476937 0.72 KEAP1 (0.53) SLC9A1KEAP1HCAR3CYP19A1CYP11B1
SCHEMBL20641235 0.71 MAP3K14 (0.50) MAP3K14MAPTCDC7CDK2
SCHEMBL19781817 0.69 HDAC3 (0.51) SLC9A1KEAP1HCAR3CYP19A1LMNA
SCHEMBL15341829 0.69 CYP19A1 (0.50) SLC9A1KEAP1HCAR3CYP19A1CYP11B1

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-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 CN disclosed