SCHEMBL8124285

SCHEMBL8124285

CSC(NCc1ccc(N)cc1)=C(C#N)C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPID Q08752 5/20 0.38
PPIB P23284 2/20 0.38
PPIA P62937 1/20 0.38
PPIG Q13427 1/20 0.38
IDO1 P14902 1/20 0.36
EPHX1 P07099 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA5 P08648 1/20 0.34
ADORA2A P29274 1/20 0.33

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
SCHEMBL6187669 0.84 IDO1 (0.53) LMNAALDH1A1L3MBTL1IDO1MAPT
SCHEMBL8129222 0.82 ALDH1A1 (0.51) EPHX2LMNAALDH1A1L3MBTL1MAPT
SCHEMBL8579767 0.76 NAMPT (0.46) EPHX2L3MBTL1MAPTRECQL
SCHEMBL8115432 0.72 ALDH1A1 (0.51) EPHX2LMNAHTTALDH1A1SMN1; SMN2
SCHEMBL22307220 0.71 LMNA (0.46) LMNAHTTALDH1A1L3MBTL1MAPT
SCHEMBL19561806 0.68 MCL1 (0.38) LMNAALDH1A1L3MBTL1PPIDPPIB
SCHEMBL8577400 0.66 EPHX2 (0.46) EPHX2PPIDPPIBPPIAPPIG
SCHEMBL1800569 0.65 KMT2A (0.63) EPHX2ALDH1A1PPIDPPIBPPIA
SCHEMBL11445734 0.65 ANPEP (0.42) EPHX2LMNAHTTALDH1A1PPID
SCHEMBL11450885 0.65

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819129-B1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2000-08-02 EP disclosed
US-5981533-A INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR EPIDERMAL GROWTH FACTOR AND CAN BE USED IN THE CASE OF EPIDERMAL HYPERPROLIFERATION (PSORIASIS) AND AS ANTI-TUMOR AGENTS NOVARTIS AG (CH) 1999-11-09 US disclosed
WO-1998014449-A1 FUSED PYRAZOLE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-04-09 WO disclosed
EP-0819129-A1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-01-21 EP disclosed
WO-1996031510-A1 PYRAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1996-10-10 WO disclosed