SCHEMBL30501262

SCHEMBL30501262

CC1(O)CCN(c2cc(N3CCOCC3)ccc2-c2ccc(-c3cn[nH]c3)nc2C(N)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ PIK3CD O00329 2/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ LRRK2 Q5S007 2/20 0.38
▸ LGMN Q99538 3/20 0.37
▸ PIK3R2 O00459 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ IDH1 O75874 2/20 0.37
▸ BMPR1B O00238 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ BMPR1A P36894 1/20 0.36
▸ ACVR1B P36896 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ ACVRL1 P37023 1/20 0.36
▸ TGFBR2 P37173 1/20 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
SCHEMBL30501443 0.92 CDK2 (0.40) PRKCAPRKCQCDK2GSK3BIRAK4
SCHEMBL30501359 0.91 IRAK4 (0.45) CDK2GSK3BIRAK4PIK3CDCCNA2
SCHEMBL30501446 0.91 IRAK4 (0.46) CDK2GSK3BIRAK4PIK3CDCCNA2
SCHEMBL30501447 0.88 PIK3CD (0.41) PRKCAPRKCQCDK2GSK3BIRAK4
SCHEMBL30501226 0.87 CDK2 (0.42) PRKCAPRKCQCDK2GSK3BIRAK4
SCHEMBL30501415 0.86 CDK2 (0.40) PRKCAPRKCQCDK2GSK3BPIK3CD
SCHEMBL30501200 0.84 IRAK4 (0.46) CDK2GSK3BIRAK4PIK3CDCCNA2
SCHEMBL30501373 0.84 CDK2 (0.39) CDK2GSK3BIRAK4CCNA2CCNA1
SCHEMBL30501341 0.83 JAK2 (0.45) CDK2GSK3BIRAK4CCNA2CCNA1
SCHEMBL30501205 0.82 CSF1R (0.41) GSK3BIRAK4LRRK2CHEK1TGFBR1

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-111032642-B Kinase inhibitors and methods of making and using the same 里格尔药品股份有限公司 2023-07-18 — — CN claimed
CN-111032642-B Kinase inhibitors and methods of making and using the same 里格尔药品股份有限公司 2023-07-18 — — CN disclosed
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