SCHEMBL30686342

SCHEMBL30686342

COc1nc(N2CCNC(C)(C)C2)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HDAC1 Q13547 1/20 0.41
▸ CSNK1E P49674 4/20 0.39
▸ PRKAB2 O43741 6/20 0.39
▸ PRKAG1 P54619 6/20 0.39
▸ PRKAA2 P54646 6/20 0.39
▸ PRKAA1 Q13131 6/20 0.39
▸ PRKAG3 Q9UGI9 6/20 0.39
▸ PRKAG2 Q9UGJ0 6/20 0.39
▸ PRKAB1 Q9Y478 6/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ PRKD1 Q15139 1/20 0.36
▸ PRKD2 Q9BZL6 1/20 0.36
▸ EIF2AK4 Q9P2K8 1/20 0.36
▸ UCHL3 P15374 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
SCHEMBL18096347 0.89 PRKCQ (0.46) PRKCQHDAC1CSNK1EPRKAB2PRKAG1
SCHEMBL31368899 0.79 LATS1 (0.39) PRKCQPOLBTDP1HDAC1CSNK1E
SCHEMBL17371708 0.78 POLB (0.55) POLBTDP1PRKAB2PRKAG1PRKAA2
SCHEMBL18096093 0.78 PRKCQ (0.53) PRKCQHDAC1CSNK1EIRAK4AURKA
SCHEMBL17075539 0.75 PRKAB2 (0.58) POLBTDP1PRKAB2PRKAG1PRKAA2
SCHEMBL16339295 0.74 HDAC1 (0.42) PRKCQHDAC1CSNK1EIRAK4AURKB
SCHEMBL19995495 0.74 PRKCQ (0.44) PRKCQHDAC1CSNK1EIRAK4AURKA
SCHEMBL16333395 0.73 POLB (0.40) POLBTDP1HDAC1PRKAB2PRKAG1
SCHEMBL16378116 0.73 POLB (0.49) POLBTDP1PRKAB2PRKAG1PRKAA2
SCHEMBL20000452 0.72 PRKCQ (0.61) PRKCQHDAC1CSNK1EIRAK4PRKD1

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-4532496-A1 NOVEL PAR-2 INHIBITORS Domain Therapeutics (FR) 2025-04-09 — — EP claimed
WO-2023233033-A1 NOVEL PAR-2 INHIBITORS DOMAIN THERAPEUTICS (FR) 2023-12-07 — — WO claimed
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