SCHEMBL1941891

SCHEMBL1941891

Nc1ncnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.59
PDGFRB P09619 1/20 0.48
CYP19A1 P11511 1/20 0.47
WDR5 P61964 1/20 0.46
EGFR P00533 4/20 0.45
ERBB2 P04626 2/20 0.45
ERBB3 P21860 2/20 0.45
TEK Q02763 2/20 0.45
ERBB4 Q15303 2/20 0.45
FGFR1 P11362 2/20 0.45
KDR P35968 2/20 0.45
ITGA1 P56199 3/20 0.44
BRAF P15056 1/20 0.43
TNNI3K Q59H18 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL1941175 0.92 BTK (0.59) BTKPDGFRBEGFRERBB2ERBB3
SCHEMBL1941126 0.91 BTK (0.58) BTKPDGFRBEGFRERBB2ERBB3
SCHEMBL1941592 0.91 BTK (0.69) BTKEGFRERBB2ERBB3TEK
SCHEMBL1941090 0.91 BTK (0.55) BTKPDGFRBEGFRERBB2ERBB3
SCHEMBL1940319 0.90 BTK (0.59) BTKEGFRERBB2ERBB3TEK
SCHEMBL1939646 0.90 BTK (0.59) BTKEGFRERBB2ERBB3TEK
SCHEMBL1940259 0.90 BTK (0.53) BTKPDGFRBEGFRERBB2ERBB3
SCHEMBL1940038 0.89 BTK (0.55) BTKEGFRERBB2ERBB3TEK
SCHEMBL1940086 0.88 BTK (0.56) BTKCYP19A1BRAFTNNI3KMEN1
SCHEMBL1941241 0.88 BTK (0.50) BTKPDGFRBEGFRERBB2ERBB3

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 5 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
US-7271262-B2 Pyrrolopyrimidine derivatives PFIZER INC (US) 2007-09-18 US disclosed
CN-1726218-A Pyrrolopyrimidine derivatives PFIZER PROD INC (US) 2006-01-25 CN disclosed
EP-1578751-A1 PYRROLOPYRIMIDINE DERIVATIVES Pfizer Products Inc. (US) 2005-09-28 EP disclosed
WO-2004056830-A1 PYRROLOPYRIMIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2004-07-08 WO disclosed