SCHEMBL2442398

SCHEMBL2442398

C[C@H]1CN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CC[C@H]1N

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.84
ERBB2 P04626 19/20 0.84
PRKD3 O94806 1/20 0.83
PRKCG P05129 1/20 0.83
PRKCB P05771 1/20 0.83
LCK P06239 1/20 0.83
CDK1 P06493 1/20 0.83
MET P08581 1/20 0.83
PRKCA P17252 1/20 0.83
PRKCH P24723 1/20 0.83
KDR P35968 1/20 0.83
PRKCI P41743 1/20 0.83
PRKCE Q02156 1/20 0.83
PRKCQ Q04759 1/20 0.83
PRKCZ Q05513 1/20 0.83
PRKCD Q05655 1/20 0.83
PRKD1 Q15139 1/20 0.83

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
SCHEMBL2441276 1.00 EGFR (0.84) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2441277 1.00 EGFR (0.84) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2442401 1.00 EGFR (0.84) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2446782 1.00 EGFR (0.84) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2446019 0.92 EGFR (1.00) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2481942 0.92 EGFR (1.00) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2443464 0.91 EGFR (1.00) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2443682 0.89 EGFR (0.93) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2443416 0.89 EGFR (0.93) EGFRERBB2PRKD3PRKCGPRKCB
SCHEMBL2452162 0.88 EGFR (0.93) 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 9 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 claimed
JP-4301440-B2 2009-07-22 JP claimed
EP-1446401-A4 C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL MYERS SQUIBB CO (US) 2006-04-12 EP claimed
US-6908916-B2 C-5 modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB COMPANY (US) 2005-06-21 US claimed
JP-2005509030-A 2005-04-07 JP claimed
EP-1446401-A2 C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES Bristol-Myers Squibb Company (US) 2004-08-18 EP claimed
WO-2003042172-A2 C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-22 WO claimed
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