SCHEMBL7778702

SCHEMBL7778702

COCCOc1ccc(Nc2cc(Nc3ccc(F)c(Cl)c3)ncn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
EGFR P00533 6/20 0.50
HDAC3 O15379 5/20 0.49
HDAC4 P56524 5/20 0.49
HDAC1 Q13547 5/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC2 Q92769 5/20 0.49
HDAC10 Q969S8 5/20 0.49
HDAC11 Q96DB2 5/20 0.49
HDAC8 Q9BY41 5/20 0.49
HDAC6 Q9UBN7 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
HCK P08631 2/20 0.49
BTK Q06187 2/20 0.49
APP P05067 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CDK4 P11802 1/20 0.47

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
SCHEMBL7771263 0.87 EGFR (0.52) MEN1KMT2AEGFRHDAC3HDAC4
SCHEMBL7771232 0.86 MEN1 (0.70) MEN1KMT2AEGFRAPPNPC1
SCHEMBL7778638 0.83 SYK (0.51) MEN1KMT2AEGFRHDAC3HDAC4
SCHEMBL2286784 0.82 NPC1 (0.56) MEN1KMT2AEGFRHCKBTK
SCHEMBL7775667 0.80 EGFR (0.60) EGFRAPPMAPT
SCHEMBL7775606 0.80 SYK (0.48) MEN1KMT2AEGFRHDAC3HDAC4
SCHEMBL1387327 0.79 APP (0.62) MEN1KMT2AEGFRAPPNPC1
SCHEMBL1387439 0.79 EGFR (0.49) EGFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1387307 0.79 CDK4 (0.50) MEN1KMT2AEGFRHDAC3HDAC4
SCHEMBL19480017 0.79 KDR (0.71) EGFRHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US disclosed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO disclosed