SCHEMBL30501205

SCHEMBL30501205

CN1CCN(c2ccc(-c3ccc(-c4cn[nH]c4)nc3C(N)=O)c(N3CCCCC3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 3/20 0.41
▸ CHEK1 O14757 1/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ TGFBR1 P36897 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ ROCK2 O75116 2/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ PTK2B Q14289 1/20 0.37

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
SCHEMBL30501216 0.91 DYRK1A (0.38) CSF1RCHEK1DYRK1ACLK2LRRK2
SCHEMBL30501446 0.89 IRAK4 (0.46) CSF1RCHEK1ALDH1A1LRRK2TGFBR1
SCHEMBL30501359 0.88 IRAK4 (0.45) CSF1RCHEK1ALDH1A1LRRK2TGFBR1
SCHEMBL30501200 0.83 IRAK4 (0.46) CSF1RALDH1A1LRRK2TGFBR1ACVR1
SCHEMBL30501262 0.82 PRKCA (0.39) CHEK1LRRK2TGFBR1ACVR1ROCK2
SCHEMBL30501443 0.81 CDK2 (0.40) CSF1RCHEK1LRRK2TGFBR1ACVR1
SCHEMBL30501447 0.81 PIK3CD (0.41) ALDH1A1LRRK2TGFBR1ACVR1MAPT
SCHEMBL30501385 0.81 CSF1R (0.40) CSF1RCHEK1ALDH1A1RPS6KA3TGFBR1
SCHEMBL30501226 0.81 CDK2 (0.42) ALDH1A1LRRK2TGFBR1ACVR1MAPT
SCHEMBL30052799 0.79 CDK2 (0.39) CHEK1DYRK1ACLK2RPS6KA3TGFBR1

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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