SCHEMBL2461249

SCHEMBL2461249

Cc1ccc(Nc2ncnc3[nH]c(C)c(C)c23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 1.00
ABL1 P00519 5/20 0.78
ABL2 P42684 5/20 0.78
PRKCA P17252 1/20 0.78
KDR P35968 1/20 0.62
RAF1 P04049 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL2460994 0.88 EGFR (1.00) EGFRABL1ABL2PRKCAKDR
SCHEMBL2458392 0.88 EGFR (0.78) EGFRABL1ABL2PRKCAKDR
SCHEMBL2461344 0.88 EGFR (1.00) EGFRABL1ABL2PRKCAKDR
SCHEMBL2458367 0.86 EGFR (0.76) EGFRABL1ABL2PRKCAKDR
SCHEMBL2458457 0.85 EGFR (1.00) EGFRABL1ABL2PRKCAKDR
SCHEMBL2459209 0.82 EGFR (1.00) EGFRABL1ABL2PRKCAKDR
SCHEMBL2461138 0.81 EGFR (0.70) EGFRABL1ABL2PRKCAKDR
SCHEMBL2461450 0.81 EGFR (0.77) EGFRABL1ABL2PRKCAKDR
SCHEMBL2461152 0.79 EGFR (1.00) EGFRABL1ABL2PRKCAKDR
SCHEMBL2461133 0.77 EGFR (1.00) EGFRABL1ABL2PRKCAKDR

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-2041137-B1 PYRROLOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2011-09-28 EP claimed
EP-2041137-B1 PYRROLOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2011-09-28 EP disclosed
US-6096749-A ANTITUMOR, EPIDERMAL GROWTH FACTOR NOVARTIS CORPORATION (US) 2000-08-01 US disclosed
EP-0682027-B1 Pyrrolopyrimidine derivatives with antiproliferative action CIBA GEIGY AG (CH) 1997-10-15 EP disclosed
EP-0682027-A1 Pyrrolopyrimidine derivatives with antiproliferative action CIBA-GEIGY AG (CH) 1995-11-15 EP disclosed