SCHEMBL8110951

SCHEMBL8110951

c1ccc(-c2cnc3cc4[nH]ncc4cc3n2)nc1.c1ccc(Sc2cnc3cc4cn[nH]c4cc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ CYP1A2 P05177 2/20 0.40
▸ GRIA1 P42261 1/20 0.40
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ TGFBR1 P36897 3/20 0.35
▸ METAP2 P50579 2/20 0.34
▸ METAP1 P53582 2/20 0.34
▸ CBFB Q13951 2/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ WNT3A P56704 1/20 0.34

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
SCHEMBL6617837 0.89 HTT (0.56) HPGDHTTSMN1; SMN2NPC1RAB9A
SCHEMBL6621982 0.89 HTT (0.56) HPGDHTTSMN1; SMN2NPC1RAB9A
SCHEMBL6616315 0.87 CYP1A2 (0.46) HPGDHTTCYP1A2GRIA1SMN1; SMN2
SCHEMBL6617020 0.87 CYP1A2 (0.46) HPGDHTTCYP1A2GRIA1SMN1; SMN2
SCHEMBL6616738 0.74 SMN1; SMN2 (0.58) HPGDCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL6615711 0.71 L3MBTL1 (0.39) CYP1A2CYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL6616860 0.71 L3MBTL1 (0.39) CYP1A2CYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL6620239 0.68 PIM1 (0.64) HPGDCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL6621847 0.68 TRPA1 (0.55) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL8110919 0.68 TRPA1 (0.55) SMN1; SMN2NPC1RAB9AKDM4EMAPT

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
EP-0779889-A4 PYRAZOLO 3,4-g]QUINOXALINE COMPOUNDS WHICH INHIBIT PDGF RECEPTOR PROTEIN TYROSINE KINASE RHONE POULENC RORER PHARMA (US) 2000-02-23 — — EP disclosed
EP-0779889-A1 PYRAZOLO 3,4-g]QUINOXALINE COMPOUNDS WHICH INHIBIT PDGF RECEPTOR PROTEIN TYROSINE KINASE RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1997-06-25 — — EP disclosed
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