SCHEMBL1940969

SCHEMBL1940969

Nc1ncnc2c1c(C(=O)c1cccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)c1)cn2CC1CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.53
ERBB2 P04626 7/20 0.53
ERBB3 P21860 7/20 0.53
ERBB4 Q15303 7/20 0.53
TEK Q02763 6/20 0.53
ITGA1 P56199 2/20 0.50
PDGFRB P09619 1/20 0.49
KDR P35968 1/20 0.43
EIF2AK3 Q9NZJ5 2/20 0.40
NTRK2 Q16620 2/20 0.40
NTRK1 P04629 1/20 0.40
KCNH2 Q12809 1/20 0.40
NTRK3 Q16288 1/20 0.40
SRC P12931 2/20 0.38
CHKA P35790 1/20 0.38
BTK Q06187 1/20 0.37
RET P07949 1/20 0.37
WDR5 P61964 1/20 0.36

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
SCHEMBL1941177 0.92 EGFR (0.54) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941198 0.88 ITGA1 (0.52) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941033 0.85 EGFR (0.70) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941423 0.85 EGFR (0.73) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940584 0.85 EGFR (0.47) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940713 0.84 EGFR (0.74) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940475 0.83 PDGFRB (0.70) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940619 0.82 PDGFRB (0.60) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1941037 0.81 ITGA1 (0.52) EGFRERBB2ERBB3ERBB4TEK
SCHEMBL1940974 0.80 EGFR (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578751-B1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PROD INC (US) 2011-06-15 EP disclosed