SCHEMBL2461450

SCHEMBL2461450

CCCCc1ccc(Nc2ncnc3[nH]c(C)c(C)c23)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.77
ABL1 P00519 5/20 0.64
ABL2 P42684 5/20 0.64
PRKCA P17252 1/20 0.64
NPC1 O15118 2/20 0.55
HPGD P15428 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
KDR P35968 1/20 0.51
ALDH1A1 P00352 1/20 0.44
CASP3 P42574 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2458457 0.87 EGFR (1.00) EGFRABL1ABL2PRKCANPC1
SCHEMBL2461249 0.81 EGFR (1.00) EGFRABL1ABL2PRKCAMAPT
SCHEMBL10957753 0.79 HPGD (0.59) EGFRNPC1HPGDRAB9AMEN1
SCHEMBL2460994 0.79 EGFR (1.00) EGFRABL1ABL2PRKCARAB9A
SCHEMBL2458392 0.79 EGFR (0.78) EGFRABL1ABL2PRKCAKDR
SCHEMBL2458367 0.74 EGFR (0.76) EGFRABL1ABL2PRKCAKDR
SCHEMBL2459209 0.71 EGFR (1.00) EGFRABL1ABL2PRKCAKDR
SCHEMBL5568144 0.71 HTT (0.65) EGFRNPC1HPGDRAB9AMEN1
SCHEMBL2461152 0.70 EGFR (1.00) EGFRABL1ABL2PRKCAKDR
SCHEMBL2461566 0.69 EGFR (0.68) EGFRABL1ABL2PRKCAMEN1

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-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