SCHEMBL20119921

SCHEMBL20119921

CC(C)(C)OC(=O)Nc1nn2ccc(N3CCCC3)nc2c1Br

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 9/20 0.39
▸ SMPD3 Q9NY59 4/20 0.38
▸ PARP1 P09874 2/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OGFRL1 Q5TC84 1/20 0.36
▸ MAP4K4 O95819 2/20 0.35
▸ SUV39H2 Q9H5I1 1/20 0.35
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35

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
SCHEMBL20119347 0.80 GSK3B (0.45) IRAK4
SCHEMBL20119922 0.77 NTRK1 (0.61) —
SCHEMBL20119444 0.77 NTRK1 (0.61) —
SCHEMBL3700544 0.73 KCNQ3 (0.42) IRAK4
SCHEMBL22686425 0.72 CKS1B (0.47) MAP4K4SUV39H2CKS1BSKP1SKP2
SCHEMBL29314221 0.70 BRD4 (0.36) OPRM1OPRD1OGFRL1
SCHEMBL20119462 0.69 SMPD3 (0.56) SMPD3PARP1MAP4K4
SCHEMBL9104899 0.68 ACHE (0.40) SUV39H2
SCHEMBL20119575 0.68 PARP1 (0.46) IRAK4SMPD3PARP1
SCHEMBL6126409 0.67 HPGD (0.38) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3533796-B1 AMINO PYRAZOLOPYRIMIDINE COMPOUND USED AS NEUROTROPHIC FACTOR TYROSINE KINASE RECEPTOR INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-09-29 — — EP disclosed
EP-3533796-A1 AMINO PYRAZOLOPYRIMIDINE COMPOUND USED AS NEUROTROPHIC FACTOR TYROSINE KINASE RECEPTOR INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-09-04 — — EP disclosed
WO-2018077246-A1 AMINO PYRAZOLOPYRIMIDINE COMPOUND USED AS NEUROTROPHIC FACTOR TYROSINE KINASE RECEPTOR INHIBITOR 正大天晴药业集团股份有限公司 2018-05-03 — — WO disclosed
Send feedback