SCHEMBL10278430

SCHEMBL10278430

Nc1cnc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1[C@H]1C[C@@H](N)[C@H]2CCC[C@H]2O1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 19/20 0.62
▸ PIM3 Q86V86 19/20 0.62
▸ PIM2 Q9P1W9 19/20 0.62
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57

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
SCHEMBL1911275 0.92 CYP3A4 (0.58) PIM1PIM3PIM2CYP3A4CYP2D6
SCHEMBL1910926 0.91 CYP3A4 (0.58) PIM1PIM3PIM2CYP3A4CYP2D6
SCHEMBL1910937 0.89 PIM1 (0.65) PIM1PIM3PIM2
SCHEMBL1910940 0.88 PIM3 (0.69) PIM1PIM3PIM2
SCHEMBL10278479 0.84 CYP3A4 (0.61) PIM1PIM3PIM2CYP3A4CYP2D6
SCHEMBL14892047 0.83 PIM1 (0.63) PIM1PIM3PIM2CYP3A4CYP2D6
SCHEMBL14891972 0.83 PIM1 (0.61) PIM1PIM3PIM2CYP3A4CYP2D6
SCHEMBL14906206 0.83 PIM1 (0.63) PIM1PIM3PIM2CYP3A4CYP2D6
SCHEMBL14892006 0.83 PIM1 (0.63) PIM1PIM3PIM2CYP3A4CYP2D6
SCHEMBL10278425 0.82 PIM1 (0.68) PIM1PIM3PIM2

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
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 — — WO disclosed
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