SCHEMBL25056369

SCHEMBL25056369

CCc1c(-c2ccc(OC)c(N)c2)cnn1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ KIT P10721 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL25056522 0.82 NPC1 (0.40) ALDH1A1MAPTGAAHPGDSKIT
SCHEMBL15507787 0.77 TTK (0.51) CYP11B2ALDH1A1MAPTGAAHPGDS
SCHEMBL30132210 0.77 TTK (0.51) CYP11B2ALDH1A1MAPTGAAHPGDS
SCHEMBL16968079 0.77 ALDH1A1 (0.49) CYP11B2ALDH1A1MAPTGAAHPGDS
SCHEMBL15507905 0.70 ALDH1A1 (0.54) CYP11B2ALDH1A1MAPTGAAHPGDS
SCHEMBL27950305 0.70 PIK3CD (0.45) ALDH1A1MAPTKITCYP3A4PRMT5
SCHEMBL21737683 0.70 CYP11B2 (0.40) CYP11B2ALDH1A1GAAKDM4EMEN1
SCHEMBL31607677 0.70 ALDH1A1 (0.67) ALDH1A1MAPTGAACYP3A4MEN1
SCHEMBL6863931 0.70 ALDH1A1 (0.67) ALDH1A1MAPTGAACYP3A4MEN1
SCHEMBL30839809 0.70 ALDH1A1 (0.67) ALDH1A1MAPTGAACYP3A4MEN1

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
EP-4137484-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-22 — — EP disclosed
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