SCHEMBL2479490

SCHEMBL2479490

Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCCC6)c45)ccc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB2 P04626 20/20 1.00
PRKD3 O94806 1/20 0.84
PRKCG P05129 1/20 0.84
PRKCB P05771 1/20 0.84
LCK P06239 1/20 0.84
CDK1 P06493 1/20 0.84
MET P08581 1/20 0.84
PRKCA P17252 1/20 0.84
PRKCH P24723 1/20 0.84
KDR P35968 1/20 0.84
PRKCI P41743 1/20 0.84
PRKCE Q02156 1/20 0.84
PRKCQ Q04759 1/20 0.84
PRKCZ Q05513 1/20 0.84
PRKCD Q05655 1/20 0.84
PRKD1 Q15139 1/20 0.84

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
SCHEMBL2441291 0.93 EGFR (1.00) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2441842 0.93 EGFR (1.00) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2441669 0.93 EGFR (0.87) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2475260 0.93 EGFR (1.00) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2445303 0.93 EGFR (0.86) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2443679 0.92 EGFR (0.85) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2450316 0.92 EGFR (0.85) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2446761 0.92 EGFR (0.85) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2447406 0.92 EGFR (0.84) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2443045 0.92 EGFR (1.00) EGFRERBB2PRKD3PRKCGPRKCB

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-1446401-B1 C5-modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB CO (US) 2011-09-14 EP disclosed
US-6908916-B2 C-5 modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB COMPANY (US) 2005-06-21 US disclosed