SCHEMBL13126322

SCHEMBL13126322

CSc1cc(COC(=O)Nc2cccc(CF)c2)nc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ENPP2 Q13822 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDR P35968 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ TNNI3K Q59H18 1/20 0.36

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
SCHEMBL12946854 0.85 ALDH1A1 (0.45) MGLLRAB9AMAPTLMNASMN1; SMN2
SCHEMBL13126328 0.69 MAPT (0.50) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL13126277 0.68 KMT2A (0.40) MAPTLMNASMN1; SMN2
SCHEMBL10620437 0.67 HRH4 (0.38) MAPT
SCHEMBL13125786 0.65 MEN1 (0.79) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL13564689 0.65 MAPT (0.46) MAPTKDRMAPK14TNNI3K
SCHEMBL27614147 0.65 ALDH1A1 (0.58) RAB9AMAPTSMN1; SMN2
SCHEMBL13125750 0.65 KMT2A (0.43) MAPTLMNASMN1; SMN2KDRMAPK14
SCHEMBL14458281 0.64 MEN1 (0.53) MGLLNPC1RAB9AMAPTLMNA
SCHEMBL12947373 0.64 SMN1; SMN2 (0.44) MGLLMAPTLMNASMN1; SMN2KDR

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-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
Send feedback