SCHEMBL1779339

SCHEMBL1779339

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4sc(C(=O)NC(C)(C)c5ccccc5F)cc34)c(NC(=O)c3ccco3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 15/20 0.45
ALK Q9UM73 15/20 0.45
AURKA O14965 5/20 0.45
ABL1 P00519 2/20 0.43
BCR P11274 1/20 0.43
IGF1R P08069 10/20 0.43
KIT P10721 2/20 0.43
FLT3 P36888 2/20 0.43
AURKB Q96GD4 3/20 0.40
CSF1R P07333 2/20 0.40
PLK4 O00444 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
MAP4K4 O95819 1/20 0.40
NTRK1 P04629 1/20 0.40
PRKCG P05129 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
LYN P07948 1/20 0.40
RET P07949 1/20 0.40

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
SCHEMBL1781440 0.91 AURKA (0.55) INSRALKAURKAABL1BCR
SCHEMBL15362150 0.91 ALK (0.43) INSRALKAURKAABL1IGF1R
SCHEMBL1779553 0.88 AURKA (0.44) INSRALKAURKAABL1BCR
SCHEMBL1779993 0.87 AURKA (0.45) INSRALKAURKAABL1BCR
SCHEMBL1779963 0.87 IGF1R (0.52) INSRALKAURKAABL1BCR
SCHEMBL1780074 0.87 SMN1; SMN2 (0.43)
SCHEMBL3865316 0.86 INSR (0.48) INSRALKAURKAABL1IGF1R
SCHEMBL1778772 0.86 INSR (0.47) INSRALKAURKAABL1BCR
SCHEMBL1780489 0.84 AURKA (0.42) INSRALKAURKAABL1BCR
SCHEMBL1780709 0.84 AURKA (0.45) INSRALKAURKAABL1BCR

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
US-7943654-B2 1H-thieno[2,3-c]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-17 US claimed
US-7943654-B2 1H-thieno[2,3-c]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-17 US disclosed