SCHEMBL31613386

SCHEMBL31613386

Cc1c(C=O)cncc1Nc1ccc(Cl)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 5/20 0.47
▸ EGFR P00533 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ TRPM5 Q9NZQ8 1/20 0.37
▸ SRC P12931 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ FGFR1 P11362 2/20 0.36
▸ FLT1 P17948 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ EPHB2 P29323 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CSF1R P07333 1/20 0.36

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
SCHEMBL26985114 1.00 NUDT1 (0.47) NUDT1EGFRNPC1PKMRAB9A
SCHEMBL31613371 0.86 NUDT1 (0.46) NUDT1EGFRNPC1RAB9AKMT2A
SCHEMBL26984907 0.86 NUDT1 (0.46) NUDT1EGFRNPC1RAB9AKMT2A
SCHEMBL26985292 0.84 TP53 (0.40) EGFRNPC1RAB9AKMT2AKDR
SCHEMBL30746459 0.84 TP53 (0.40) EGFRNPC1RAB9AKMT2AKDR
SCHEMBL26984971 0.80 NUDT1 (0.47) NUDT1EGFRNPC1PKMRAB9A
SCHEMBL30746519 0.80 NUDT1 (0.47) NUDT1EGFRNPC1PKMRAB9A
SCHEMBL30746657 0.77 NUDT1 (0.45) NUDT1EGFRNPC1PKMRAB9A
SCHEMBL26985076 0.77 NUDT1 (0.45) NUDT1EGFRNPC1PKMRAB9A
SCHEMBL30746537 0.77 ALDH1A1 (0.47) NPC1RAB9AKMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120129678-A Mitogen-activated protein kinase (MEK) inhibitors 耐斯泰德医疗公司 2025-06-10 — — CN disclosed
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