SCHEMBL27576872

SCHEMBL27576872

Cc1[nH]ccc1Nc1ccc(F)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 1/20 0.53
▸ APP P05067 1/20 0.47
▸ IDO1 P14902 5/20 0.46
▸ TDO2 P48775 4/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ SOS1 Q07889 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PTK6 Q13882 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ EGFR P00533 2/20 0.41

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
SCHEMBL27564357 0.81 ALDH3A1 (0.46) RAPGEF4MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27561378 0.81 RAPGEF4 (0.46) RAPGEF4APPIDO1TDO2MEN1
SCHEMBL29865339 0.77 IDO1 (0.61) RAPGEF4APPIDO1TDO2MEN1
SCHEMBL28844660 0.77 IDO1 (0.61) RAPGEF4APPIDO1TDO2MEN1
SCHEMBL29865062 0.76 IDO1 (0.57) RAPGEF4IDO1TDO2MEN1HTT
SCHEMBL28844772 0.76 IDO1 (0.57) RAPGEF4IDO1TDO2MEN1HTT
SCHEMBL27564358 0.75 PTGS1 (0.43) MEN1HTTKMT2ALMNASMN1; SMN2
SCHEMBL27561517 0.75 RAPGEF4 (0.33) RAPGEF4MEN1KMT2ASOS1
SCHEMBL27888200 0.73 ARNT (0.48) MEN1HTTKMT2ALMNAMAPT
SCHEMBL27582103 0.71 KDR (0.40) MEN1KMT2ANPC1RAB9AALDH1A1

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-1351498-A Pyrrolotriazines inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2002-05-29 — — CN claimed
CN-1351498-B Pyrrolotriazines inhibitors of kinases BRISTOL MYERS SQUIBB CO 2012-08-15 — — CN disclosed
CN-1351498-A Pyrrolotriazines inhibitors of kinases BRISTOL MYERS SQUIBB CO (US) 2002-05-29 — — CN disclosed
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