SCHEMBL3457113

SCHEMBL3457113

Cc1cc2nc(-c3[nH]nc4c3CCN(C(=O)c3ccc(S(C)(=O)=O)cc3)C4)[nH]c2cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.38
CFTR P13569 1/20 0.38
HPSE Q9Y251 1/20 0.37
LMNA P02545 1/20 0.36
FASN P49327 1/20 0.35
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 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
SCHEMBL3455647 0.88 SMN1; SMN2 (0.43) HPSELMNAFASNCDK4CCND1
SCHEMBL3457136 0.88 MTHFD2 (0.41) HPSECDK4CCND1NPC1RAB9A
SCHEMBL3455916 0.82 KDR (0.46) CFTRLMNAHPGD
SCHEMBL3455611 0.82 GRM5 (0.43) CDK4CCND1ALDH1A1SMN1; SMN2BRD4
SCHEMBL5067913 0.82 KDR (0.46) CFTRLMNAHPGD
SCHEMBL14031952 0.82 HPSE (0.41) HPSELMNAKMT2ANPC1RAB9A
SCHEMBL3456012 0.80 P2RX7 (0.44) LMNAALDH1A1HPGD
SCHEMBL3456798 0.80 ALDH1A1 (0.51) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL3456362 0.80 L3MBTL1 (0.44) HPSELMNANPC1RAB9AKDM4E
SCHEMBL3455651 0.80 HPSE (0.39) CFTRHPSEMEN1KMT2ANPC1

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
EP-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 EP disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed