SCHEMBL27733918

SCHEMBL27733918

COC1CCN(C2CCC(n3nc(-c4ccc5c(ccn5Cc5ccccc5Cl)c4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 14/20 0.55
▸ EGFR P00533 10/20 0.55
▸ ERBB2 P04626 8/20 0.55
▸ SRC P12931 5/20 0.52
▸ KDR P35968 3/20 0.52
▸ PIK3CD O00329 3/20 0.52
▸ PIK3CA P42336 3/20 0.52
▸ PIK3CB P42338 3/20 0.52
▸ PIK3CG P48736 3/20 0.52
▸ PRKDC P78527 3/20 0.52
▸ ABL1 P00519 2/20 0.52
▸ HCK P08631 2/20 0.52
▸ MTOR P42345 2/20 0.52
▸ EPHB4 P54760 2/20 0.52
▸ LCK P06239 3/20 0.48
▸ TEK Q02763 3/20 0.48
▸ PI4KB Q9UBF8 1/20 0.48
▸ BTK Q06187 1/20 0.48
▸ CYP2D6 P10635 1/20 0.47
▸ FYN P06241 1/20 0.47

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
SCHEMBL2960030 0.91 IGF1R (0.57) IGF1REGFRERBB2SRCKDR
SCHEMBL2966182 0.91 SRC (0.56) IGF1REGFRERBB2SRCKDR
SCHEMBL2959607 0.89 IGF1R (0.54) IGF1REGFRERBB2SRCKDR
SCHEMBL2956132 0.89 IGF1R (0.54) IGF1REGFRERBB2SRCKDR
SCHEMBL2956130 0.89 IGF1R (0.54) IGF1REGFRERBB2SRCKDR
SCHEMBL2966218 0.89 SRC (0.57) IGF1REGFRERBB2SRCKDR
SCHEMBL2953983 0.89 IGF1R (0.66) IGF1REGFRERBB2KDR
SCHEMBL2953982 0.89 IGF1R (0.66) IGF1REGFRERBB2KDR
SCHEMBL2961198 0.89 EGFR (0.56) IGF1REGFRERBB2SRCKDR
SCHEMBL2960266 0.89 IGF1R (0.56) IGF1REGFRERBB2SRCKDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101389630-A Protein kinase inhibitors ABBOTT LAB (US) 2009-03-18 — — CN disclosed
Send feedback