SCHEMBL27561393

SCHEMBL27561393

COc1ccc(Nc2cc[nH]c2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ GAA P10253 4/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ THRB P10828 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ RECQL P46063 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ TTBK1 Q5TCY1 2/20 0.48
▸ TTBK2 Q6IQ55 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ HTT P42858 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL27561515 0.78 EGFR (0.48) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL27582035 0.77 P2RY4 (0.40) MAPTGAAKDM4EMAPK1L3MBTL1
SCHEMBL27561352 0.74 KDR (0.47) MAPTRAB9AGAANPC1ALDH1A1
SCHEMBL39057 0.73 MAPT (1.00) MAPTRAB9AGAAKDM4ETHRB
SCHEMBL1459772 0.73 MAPT (1.00) MAPTRAB9AGAAKDM4ETHRB
SCHEMBL27564358 0.73 PTGS1 (0.43) MAPTRAB9AGAAKDM4ENPC1
SCHEMBL1921461 0.72 RAB9A (0.72) MAPTRAB9AGAAKDM4ETHRB
SCHEMBL857983 0.71 TTBK1 (0.62) MAPTRAB9AGAAKDM4ETHRB
SCHEMBL10480098 0.70 ALDH1A1 (0.65) MAPTRAB9AGAAKDM4ETHRB
SCHEMBL25634740 0.70 GAA (0.80) MAPTRAB9AGAAKDM4ETHRB

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
CN-1351498-A Pyrrolotriazines inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2002-05-29 — — CN claimed
CN-1351498-A Pyrrolotriazines inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2002-05-29 — — CN disclosed
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