SCHEMBL4718231

SCHEMBL4718231

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)Cc2ccccc2C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 2/20 0.48
CSF1R P07333 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT3 P36888 1/20 0.47
MAP2K7 O14733 1/20 0.45
KCNJ5 P48544 1/20 0.43
KCNJ3 P48549 1/20 0.43
NR2E1 Q9Y466 1/20 0.43
P2RX4 Q99571 2/20 0.43
LCK P06239 1/20 0.43
TEK Q02763 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 3/20 0.41
BCR P11274 3/20 0.41
BRAF P15056 2/20 0.41
KDR P35968 1/20 0.41
NTRK1 P04629 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL4718548 0.85 AURKB (0.49) CSF1RKITFLT3LCKTEK
SCHEMBL4717158 0.83 NLRP3 (0.56) ANO1LCKTEKABL1BCR
SCHEMBL4718064 0.83 SMN1; SMN2 (0.57) ANO1CSF1RMAP2K7P2RX4LMNA
SCHEMBL4717797 0.82 MEN1 (0.57) ANO1LCKTEKABL1BCR
SCHEMBL4716848 0.82 LMNA (0.59) CSF1RKDRNTRK1EPHX2LMNA
SCHEMBL4720436 0.78 TEK (0.61) CSF1RKITFLT3LCKTEK
SCHEMBL5253161 0.78 LMNA (0.54) CSF1RKDRNTRK1EPHX2LMNA
SCHEMBL4717542 0.77 BAZ1A (0.54) CSF1RKITFLT3LCKTEK
SCHEMBL4719226 0.77 KDR (0.58) CSF1RKITFLT3LCKTEK
SCHEMBL3666096 0.77 LCK (0.54) KITLCKTEKKDRNTRK1

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-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP claimed