SCHEMBL4462239

SCHEMBL4462239

CC(C)c1cc(CC2(N)N=C(N)C=C(OC3CCN(C)CC3)N2)on1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.44
SLC5A7 Q9GZV3 8/20 0.43
BMPR1B O00238 1/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
EPHB6 O15197 1/20 0.34
STK10 O94804 1/20 0.34
PRKD3 O94806 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
INSR P06213 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
YES1 P07947 1/20 0.34
LYN P07948 1/20 0.34
RET P07949 1/20 0.34
HCK P08631 1/20 0.34
BCR P11274 1/20 0.34
FGFR1 P11362 1/20 0.34

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
SCHEMBL4462384 0.80 IGF1R (0.40) IGF1RSLC5A7BMPR1BPLK4AURKA
SCHEMBL4459152 0.80 IGF1R (0.43) IGF1RSLC5A7
SCHEMBL4464502 0.79 IGF1R (0.44) IGF1RSLC5A7
SCHEMBL4469451 0.76 EPHX2 (0.33) IGF1R
SCHEMBL4464010 0.74 IGF1R (0.40) IGF1RSLC5A7
SCHEMBL4458966 0.72 IGF1R (0.44) IGF1R
SCHEMBL4461033 0.68 EPHX2 (0.34) IGF1R
SCHEMBL4469489 0.66 IGF1R (0.38) IGF1R
SCHEMBL4460700 0.66 IGF1R (0.36) IGF1R
SCHEMBL1792577 0.64 IGF1R (0.46) IGF1RSLC5A7BMPR1BPLK4AURKA

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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed