SCHEMBL8842433

SCHEMBL8842433

Brc1cccc(Nc2cc[nH]c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.46
EGFR P00533 4/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
MAPK14 Q16539 1/20 0.44
EPAS1 Q99814 2/20 0.41
IDO1 P14902 2/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR5A P47898 1/20 0.41
HTR6 P50406 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL29961149 0.82 RAPGEF4 (0.61) RAPGEF4EGFREPAS1IDO1HTR1A
SCHEMBL29961547 0.82 RAPGEF4 (0.61) RAPGEF4EGFREPAS1IDO1HTR1A
SCHEMBL1687027 0.82 RAPGEF4 (0.61) RAPGEF4EGFREPAS1IDO1HTR1A
SCHEMBL4416574 0.78 FADS1 (0.45) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL3174911 0.77 HSD17B10 (0.33) HTR2BALDH1A1KMT2A
SCHEMBL28801458 0.76 ALDH1A1 (0.35) EGFRIDO1MEN1ALDH1A1KMT2A
SCHEMBL3958554 0.76 HSD17B10 (0.57) MAPK14HTR2BMEN1ALDH1A1KMT2A
SCHEMBL72905 0.76 MEN1 (0.68) RAPGEF4EGFREPAS1HTR2BMEN1
SCHEMBL17986638 0.74 RAPGEF4 (0.53) RAPGEF4EGFREPAS1HTR2BMEN1
SCHEMBL31652360 0.74 MEN1 (0.54) RAPGEF4EGFRMAPK14MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5679683-A USEFUL FOR TREATING CANCER, ARTHRITIS, PSORIASIS, VASCULAR RESTENOSIS AND ANGIOGENESIS WARNER-LAMBERT COMPANY (US) 1997-10-21 US disclosed
EP-0741711-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-13 EP disclosed
WO-1995019970-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 WO disclosed