SCHEMBL27898888

SCHEMBL27898888

Cc1c(N)n(C)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.56
▸ ALKBH5 Q6P6C2 1/20 0.47
▸ FTO Q9C0B1 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ NQO2 P16083 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP11B2 P19099 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LIMK1 P53667 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PABPC1 P11940 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ EGFR P00533 2/20 0.41

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
SCHEMBL19233710 0.80 ALKBH5 (0.50) GPR3ALKBH5FTOTSHRKDM4E
SCHEMBL19233707 0.79 KDM4E (0.47) GPR3ALKBH5FTOTSHRKDM4E
SCHEMBL31132408 0.77 GPR3 (0.61) GPR3ALKBH5FTOTSHRKDM4E
SCHEMBL483003 0.77 GPR3 (0.61) GPR3ALKBH5FTOTSHRKDM4E
Bromide SCHEMBL15569971 0.76 GPR3 (0.58) GPR3ALKBH5FTOTSHRKDM4E
Bromide SCHEMBL15569972 0.76 GPR3 (0.58) GPR3ALKBH5FTOTSHRKDM4E
Iodide SCHEMBL344509 0.76 GPR3 (0.58) GPR3ALKBH5FTOTSHRKDM4E
SCHEMBL8586710 0.75 HTR2A (0.49) GPR3ALKBH5FTOTSHRKDM4E
SCHEMBL16381431 0.74 GPR3 (0.56) GPR3ALKBH5FTOTSHRKDM4E
SCHEMBL8083530 0.74 GPR3 (0.56) GPR3ALKBH5FTOTSHRKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104203943-A Substituted pyrimidine compounds and their use as SYK inhibitors GENOSCO 2014-12-10 — — CN claimed
CN-104203943-B Substituted pyrimidine compound and its purposes as SYK inhibitor 盖诺斯克公司 2017-12-29 — — CN disclosed
CN-103619835-B Novel Pyrimidine Derivatives Novija Research (SE) 2016-11-30 — — CN disclosed
CN-104203943-A Substituted pyrimidine compounds and their use as SYK inhibitors GENOSCO 2014-12-10 — — CN disclosed
CN-103003264-B Novel pyrimidine derivatives CHEMILIA AB 2014-08-06 — — CN disclosed
CN-103619835-A Novel pyrimidine derivatives CHEMILIA AB 2014-03-05 — — CN disclosed
CN-103003264-A Novel pyrimidine derivatives CHEMILIA AB 2013-03-27 — — CN disclosed
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