SCHEMBL4787339

SCHEMBL4787339

CCOC(=O)n1nc2c(c1NC(=O)c1ccc(N3CCN(C)CC3)cc1[AsH2])CN(S(=O)(=O)c1cc(F)cc(F)c1)C2(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.40
NTRK1 P04629 3/20 0.36
NTRK3 Q16288 3/20 0.36
NTRK2 Q16620 2/20 0.36
ALK Q9UM73 12/20 0.35
PLK4 O00444 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKCG P05129 1/20 0.35
ROS1 P08922 1/20 0.35
FER P16591 1/20 0.35
LTK P29376 1/20 0.35
WEE1 P30291 1/20 0.35
FRK P42685 1/20 0.35
MAPK8 P45983 1/20 0.35
MST1R Q04912 1/20 0.35
PTK2 Q05397 1/20 0.35
TNK2 Q07912 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35
INSR P06213 11/20 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
SCHEMBL4279723 0.94 IGF1R (0.40) IGF1RNTRK1NTRK3NTRK2ALK
SCHEMBL1372986 0.92 ALK (0.43) IGF1RNTRK1NTRK3NTRK2ALK
Hydrochloric Acid SCHEMBL1372982 0.92 ALK (0.42) IGF1RNTRK1NTRK3NTRK2ALK
Hydrochloric Acid SCHEMBL4278059 0.92 ALK (0.42) IGF1RNTRK1NTRK3NTRK2ALK
SCHEMBL4291575 0.90 IGF1R (0.49) IGF1RNTRK1NTRK3NTRK2ALK
SCHEMBL1371541 0.90 IGF1R (0.38) IGF1RNTRK1NTRK3NTRK2ALK
SCHEMBL1370571 0.87 IGF1R (0.41) IGF1RNTRK1NTRK3NTRK2ALK
SCHEMBL1371041 0.85 NTRK1 (0.37) IGF1RNTRK1NTRK3NTRK2ALK
SCHEMBL1372416 0.83 ALDH1A1 (0.36) NTRK1NTRK3NTRK2
SCHEMBL1372652 0.82 USP2 (0.34) IGF1R

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-1963326-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-03 EP disclosed
WO-2007068637-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 WO disclosed