SCHEMBL4775661

SCHEMBL4775661

CN(C)C1CCN(C(=O)Nc2cc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)c(F)c3F)ccn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 14/20 0.63
▸ KDR P35968 6/20 0.63
▸ NTRK1 P04629 3/20 0.63
▸ RIPK2 O43353 2/20 0.63
▸ ABL1 P00519 2/20 0.63
▸ LCK P06239 2/20 0.63
▸ LYN P07948 2/20 0.63
▸ RET P07949 2/20 0.63
▸ HCK P08631 2/20 0.63
▸ BCR P11274 2/20 0.63
▸ EPHA2 P29317 2/20 0.63
▸ FLT3 P36888 2/20 0.63
▸ ABL2 P42684 2/20 0.63
▸ FRK P42685 2/20 0.63
▸ MST1R Q04912 2/20 0.63
▸ DDR1 Q08345 2/20 0.63
▸ MAP2K5 Q13163 2/20 0.63
▸ PTK6 Q13882 2/20 0.63
▸ DDR2 Q16832 2/20 0.63
▸ RIPK3 Q9Y572 2/20 0.63

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
SCHEMBL3555863 0.90 MET (0.61) METKDRNTRK1RIPK2ABL1
SCHEMBL2258237 0.90 MET (0.72) METKDRNTRK1RIPK2ABL1
SCHEMBL2254725 0.90 KDR (0.78) METKDRNTRK1RIPK2ABL1
SCHEMBL3559220 0.88 MET (0.57) METKDRNTRK1RIPK2ABL1
SCHEMBL3561525 0.86 MET (0.59) METKDRNTRK1RIPK2ABL1
SCHEMBL3560402 0.86 MET (0.58) METKDRNTRK1RIPK2ABL1
SCHEMBL13038449 0.86 MET (0.58) METKDRNTRK1RIPK2ABL1
SCHEMBL3556875 0.86 MET (0.58) METKDRNTRK1RIPK2ABL1
SCHEMBL2252979 0.85 KDR (0.73) METKDRNTRK1RIPK2ABL1
SCHEMBL2249552 0.85 KDR (0.73) METKDRNTRK1RIPK2ABL1

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
EP-1889836-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) Eisai R&D Management Co., Ltd. (JP) 2008-02-20 — — EP disclosed
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