SCHEMBL14540917

SCHEMBL14540917

Nc1ccc(Oc2ncnc3[nH]c(CN4CCOCC4)cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
CSF1R P07333 3/20 0.43
FLT3 P36888 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
PRMT5 O14744 1/20 0.38
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL14540935 0.87 CCNK (0.44) CCNKCDK12KDRPRMT5
SCHEMBL1894491 0.82 FLT3 (0.54) CSF1RFLT3KDRNPC1
SCHEMBL14540928 0.76 KDM4E (0.47) KDM4EMAPTALDH1A1HTTNPC1
SCHEMBL12499716 0.70 FLT3 (0.56) CSF1RFLT3KDR
SCHEMBL4767556 0.69 EGFR (0.51) CSF1R
SCHEMBL20840003 0.69 CCNK (0.58) CCNKCDK12CSF1RHTTFGFR1
SCHEMBL26686575 0.69 CCNK (0.58) CCNKCDK12CSF1RNPC1
SCHEMBL21611489 0.69 SMN1; SMN2 (0.60) KDM4EKDRHTTCYP1A2CYP3A4
SCHEMBL29631554 0.69 SRC (0.60) KDRFGFR1FGFR2
SCHEMBL1889950 0.67 EIF2AK2 (0.61) CSF1RHPGDPRMT5

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-1777218-A1 Process for the preparation of 4-phenoxy quinoline derivatives Eisai R&D Management Co., Ltd. (JP) 2007-04-25 EP disclosed