SCHEMBL17530801

SCHEMBL17530801

Cc1cccc2cc([C@H](C)NC(=O)C(F)(F)F)c(N3CCN(C(=O)C4CC4)CC3)nc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 5/20 0.42
PIK3CD O00329 2/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KIT P10721 1/20 0.38
MTNR1B P49286 1/20 0.38
TNKS O95271 1/20 0.37

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
SCHEMBL17530802 1.00 SOS1 (0.42) SOS1PIK3CDMAPTPOLBLMNA
SCHEMBL715529 0.83 MAPT (0.47) PIK3CDMAPTPOLBLMNATSHR
SCHEMBL715528 0.83 MAPT (0.47) PIK3CDMAPTPOLBLMNATSHR
SCHEMBL716682 0.81 MAPT (0.48) SOS1MAPTPOLBLMNATSHR
SCHEMBL15875835 0.79 PIK3CD (0.44) SOS1PIK3CDMAPTLMNAALDH1A1
SCHEMBL15875832 0.79 PIK3CD (0.44) SOS1PIK3CDMAPTLMNAALDH1A1
SCHEMBL716672 0.78 PIK3CD (0.51) PIK3CDMAPTTSHRALDH1A1KDM4E
SCHEMBL721701 0.74 KDR (0.41) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL721702 0.74 KDR (0.41) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL714883 0.73 MAPT (0.51) MAPTPOLBLMNATSHRMEN1

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-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP disclosed