SCHEMBL7777484

SCHEMBL7777484

Cc1cccc(Nc2cc(Nc3cccc(OCC(N)=O)c3)ncn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.56
ERBB3 P21860 5/20 0.53
TNNI3K Q59H18 2/20 0.51
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
MAPK1 P28482 2/20 0.49
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48

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
SCHEMBL7777399 0.92 EGFR (0.55) EGFRERBB3TNNI3KKMT2ANPC1
SCHEMBL7771258 0.87 EGFR (0.55) EGFRERBB3TNNI3KKMT2ANPC1
SCHEMBL7777251 0.86 EGFR (0.59) EGFRERBB3TNNI3KKMT2ANPC1
SCHEMBL7771239 0.79 EGFR (0.54) EGFRERBB3TNNI3KKMT2ANPC1
SCHEMBL5532773 0.79 KMT2A (0.60) KMT2AMEN1RAB9AMAPK1HTT
SCHEMBL1387302 0.79 EGFR (0.72) EGFRERBB3TNNI3KKMT2ANPC1
SCHEMBL8320776 0.78 EGFR (0.53) EGFRERBB3TNNI3KKMT2ANPC1
SCHEMBL7776054 0.78 EGFR (0.58) EGFRERBB3TNNI3KKMT2ANPC1
SCHEMBL4642968 0.78 ROCK2 (0.48) KMT2ANPC1MEN1RAB9AMAPK1
SCHEMBL7775630 0.77 EGFR (0.54) EGFRERBB3TNNI3KKMT2ANPC1

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