SCHEMBL20085067

SCHEMBL20085067

C=C(C)c1cc2cc(C)c(NC(=O)OC(C)(C)C)cc2n1SI

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 1/20 0.32
▸ LCK P06239 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP17A1 P05093 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL20084859 0.91 BRD9 (0.33) BRD9LCKBRD4RXFP1CA12
SCHEMBL20084829 0.86 — —
SCHEMBL21970588 0.84 BRD9 (0.32) BRD9LCKBRD4
SCHEMBL20084836 0.82 BRD4 (0.31) BRD9BRD4ALDH1A1CYP1A2CYP3A4
SCHEMBL20084855 0.81 RAB9A (0.31) LMNAPOLB
SCHEMBL21970646 0.81 — —
SCHEMBL20085089 0.79 BRD4 (0.31) BRD4
SCHEMBL20085065 0.78 — —
SCHEMBL20084024 0.78 HPGD (0.34) LMNANPSR1ALDH1A1
SCHEMBL20084768 0.76 — —

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
EP-3312172-B1 AMINOPYRAZOLE DERIVATIVES USEFUL AS SRC KINASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-05-06 — — EP disclosed
EP-3312172-A1 AMINOPYRAZOLE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 2018-04-25 — — EP disclosed
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