SCHEMBL8123771

SCHEMBL8123771

Oc1ncnc2c1c(Nc1ccccc1)nn2Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 3/20 0.50
PRMT5 O14744 1/20 0.46
HPGD P15428 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PRKDC P78527 1/20 0.41
POLB P06746 1/20 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
SCHEMBL8121978 0.90 SRC (0.53) ALDH1A1KDM4EPRMT5HPGDMAPT
SCHEMBL6190167 0.90 ALDH1A1 (0.44) ALDH1A1KDM4EPRMT5HPGDMAPT
SCHEMBL8129918 0.88 KDM4E (0.54) ALDH1A1KDM4EPRMT5HPGDMAPT
SCHEMBL8124576 0.87 KDM4E (0.53) ALDH1A1KDM4EPRMT5HPGDMAPT
SCHEMBL8123792 0.80 SRC (0.57) ALDH1A1KDM4EPRMT5HPGDMAPT
SCHEMBL8125505 0.78 SRC (0.55) ALDH1A1KDM4EPRMT5HPGDMAPT
SCHEMBL8129590 0.78 SRC (0.58) ALDH1A1KDM4EPRMT5HPGDMAPT
SCHEMBL8121850 0.76 PRMT5 (0.48) ALDH1A1KDM4EPRMT5HPGDMAPT
SCHEMBL8125981 0.76 KDM4E (0.46) ALDH1A1KDM4EPRMT5HPGDMAPT
SCHEMBL8124464 0.75 PRMT5 (0.47) ALDH1A1KDM4EPRMT5HPGDMAPT

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