SCHEMBL14664472

SCHEMBL14664472

C[Si](C)(C)CCOCn1nc(-c2cccc(NCc3ccc(Cl)cc3)c2)c2cnc(NCCN3CCOCC3)nc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 9/20 0.48
▸ AXL P30530 2/20 0.44
▸ TYRO3 Q06418 2/20 0.44
▸ MAPK8 P45983 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ EGFR P00533 2/20 0.38
▸ TNK2 Q07912 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CXCR4 P61073 1/20 0.38

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
SCHEMBL10322268 0.94 MERTK (0.54) MERTKAXLTYRO3MAPK8LMNA
SCHEMBL10321666 0.90 MERTK (0.49) MERTKAXLTYRO3MAPK8LMNA
SCHEMBL10322743 0.89 MERTK (0.47) MERTKAXLTYRO3MAPK8USP2
SCHEMBL10323341 0.88 MERTK (0.49) MERTKAXLTYRO3MAPK8USP2
SCHEMBL10323052 0.87 MERTK (0.44) MERTKAXLTYRO3MAPK8LMNA
SCHEMBL10323970 0.85 MERTK (0.54) MERTKAXLTYRO3MAPK8EGFR
SCHEMBL10323692 0.84 MERTK (0.65) MERTKAXLTYRO3TNK2
SCHEMBL10323111 0.82 FLT3 (0.47) MERTKAXLTYRO3MAPK8LMNA
SCHEMBL10322741 0.80 MERTK (0.49) MERTKAXLTYRO3MAPK8LMNA
SCHEMBL10322219 0.80 LMNA (0.47) MERTKMAPK8LMNAALDH1A1TSHR

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
US-8362023-B2 Pyrazolo pyrimidines HOFFMANN-LA ROCHE INC. (US) 2013-01-29 — — US disclosed
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