SCHEMBL30635854

SCHEMBL30635854

Nc1cccc(Oc2nc(Cl)ncc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
PIN1 Q13526 4/20 0.46
MAOB P27338 2/20 0.46
F10 P00742 2/20 0.43
POLB P06746 2/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 3/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.37
CASP6 P55212 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
SCHEMBL4171567 1.00 EGFR (0.47) EGFRPIN1MAOBF10POLB
SCHEMBL30672854 0.85 POLB (0.53) EGFRPIN1MAOBF10POLB
SCHEMBL4172984 0.85 PIN1 (0.44) EGFRPIN1MAOBF10POLB
SCHEMBL16706312 0.85 POLB (0.53) EGFRPIN1MAOBF10POLB
SCHEMBL9945481 0.85 PIN1 (0.47) EGFRPIN1MAOBF10POLB
SCHEMBL30672829 0.83 PIN1 (0.51) EGFRPIN1MAOBPOLBMAPT
SCHEMBL16391122 0.83 PIN1 (0.51) EGFRPIN1MAOBPOLBMAPT
SCHEMBL4173344 0.82 F10 (0.43) EGFRPIN1MAOBF10POLB
SCHEMBL9945498 0.82 PIN1 (0.49) EGFRPIN1F10MAPTALDH1A1
SCHEMBL13068257 0.81 POLB (0.47) EGFRPIN1MAOBF10POLB

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
CN-116947764-B Pyrimidamine NUAK inhibitor and preparation method and application thereof 特科罗生物科技(成都)有限公司 2025-06-13 CN disclosed
WO-2025011444-A1 PYRIMIDINAMINE NUAK INHIBITOR AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 特科罗生物科技(成都)有限公司 2025-01-16 WO disclosed
CN-116947764-A Pyrimidine amine NUAK inhibitor and preparation method and application thereof 特科罗生物科技(成都)有限公司 2023-10-27 CN disclosed