SCHEMBL22604128

SCHEMBL22604128

CNc1cc2c(Nc3ccc(Cl)c(Br)c3)ncnc2cn1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.67
ERBB2 P04626 7/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
TNK2 Q07912 1/20 0.67
MKNK1 Q9BUB5 1/20 0.67
ERBB4 Q15303 2/20 0.51
GRM1 Q13255 1/20 0.49

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
SCHEMBL22604134 0.83 GRM1 (0.70) EGFRERBB2MEN1KMT2AGRM1
SCHEMBL11902739 0.83 EGFR (0.66) EGFRERBB2MEN1KMT2AERBB4
SCHEMBL29714896 0.83 GRM1 (0.70) EGFRERBB2MEN1KMT2AGRM1
SCHEMBL1262166 0.81 EGFR (1.00) EGFRERBB2MEN1KMT2ATNK2
SCHEMBL7976884 0.81 EGFR (1.00) EGFRERBB2MEN1KMT2ATNK2
SCHEMBL29714897 0.80 EGFR (0.74) EGFRERBB2MEN1KMT2ATNK2
SCHEMBL16994107 0.80 EGFR (0.63) EGFRERBB2ERBB4
SCHEMBL22604135 0.80 EGFR (0.74) EGFRERBB2MEN1KMT2ATNK2
SCHEMBL22590178 0.79 EGFR (0.53) EGFRERBB2MEN1KMT2AERBB4
SCHEMBL7978486 0.78 EGFR (1.00) EGFRERBB2MEN1KMT2ATNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020219906-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-29 WO disclosed