SCHEMBL8124576

SCHEMBL8124576

Clc1ncnc2c1c(Nc1ccccc1)nn2Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 1/20 0.48
NR2F2 P24468 1/20 0.48
KMT2A Q03164 1/20 0.48
PRMT5 O14744 1/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43

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
SCHEMBL8129918 0.90 KDM4E (0.54) KDM4EPRMT5ALDH1A1MAPTHPGD
SCHEMBL8125505 0.90 SRC (0.55) KDM4EMEN1KMT2APRMT5ALDH1A1
SCHEMBL8123771 0.87 ALDH1A1 (0.50) KDM4EPRMT5ALDH1A1MAPTHPGD
SCHEMBL8123792 0.84 SRC (0.57) KDM4EMEN1KMT2APRMT5ALDH1A1
SCHEMBL8129590 0.83 SRC (0.58) KDM4EMEN1KMT2APRMT5ALDH1A1
SCHEMBL8121978 0.80 SRC (0.53) KDM4EMEN1KMT2APRMT5ALDH1A1
SCHEMBL8125981 0.78 KDM4E (0.46) KDM4EPRMT5ALDH1A1MAPTHPGD
SCHEMBL8121850 0.78 PRMT5 (0.48) KDM4EPRMT5ALDH1A1MAPTHPGD
SCHEMBL12551796 0.78 PIK3CD (0.56) MEN1NR2F2KMT2AALDH1A1MAPK1
SCHEMBL6190167 0.78 ALDH1A1 (0.44) KDM4EPRMT5ALDH1A1MAPTHPGD

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