SCHEMBL1941844

SCHEMBL1941844

Nc1ncnc2c1c(C(=O)c1ccc(NS(=O)(=O)c3ccccc3Cl)cc1)cn2C1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.72
ERBB2 P04626 9/20 0.72
ERBB3 P21860 9/20 0.72
ERBB4 Q15303 9/20 0.72
TEK Q02763 8/20 0.72
RET P07949 8/20 0.53
KDR P35968 3/20 0.52
SRC P12931 5/20 0.44
ABL1 P00519 5/20 0.44
ABL2 P42684 4/20 0.44
LCK P06239 3/20 0.44
CSF1R P07333 2/20 0.41
IGF1R P08069 2/20 0.41
FGFR1 P11362 2/20 0.41
FLT1 P17948 2/20 0.41
FLT3 P36888 2/20 0.41
MST1R Q04912 2/20 0.41
NTRK3 Q16288 2/20 0.41
NTRK2 Q16620 2/20 0.41
ALK Q9UM73 2/20 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
SCHEMBL1940495 0.94 EGFR (0.73) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939641 0.91 EGFR (0.75) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941449 0.89 EGFR (0.71) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939918 0.88 EGFR (0.58) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940715 0.85 EGFR (0.74) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940313 0.84 EGFR (0.72) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1939843 0.84 EGFR (0.73) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941063 0.84 EGFR (1.00) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941222 0.84 RET (0.67) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940246 0.84 EGFR (0.75) EGFRERBB2ERBB3ERBB4TEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578751-B1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PROD INC (US) 2011-06-15 EP disclosed
CN-1726218-A Pyrrolopyrimidine derivatives PFIZER PROD INC (US) 2006-01-25 CN disclosed