SCHEMBL19983961

SCHEMBL19983961

Cc1ccc(Nc2ccc3c(C(=O)N(C)C)cn(Sc4cccnc4)c3c2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 10/20 0.37
MAP2K2 P36507 2/20 0.35
MAP2K1 Q02750 2/20 0.35
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
CDK2 P24941 3/20 0.34
KCNH2 Q12809 2/20 0.34
MAPK14 Q16539 1/20 0.33
PFKFB3 Q16875 1/20 0.32
NUDT1 P36639 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL19983939 0.83 ABL1 (0.37) KDRKCNH2
SCHEMBL19984191 0.82 CYP3A4 (0.40) KDRNAMPT
SCHEMBL16619031 0.81 HDAC1 (0.42) DHODHMAP2K2MAP2K1NAMPT
SCHEMBL19984127 0.71 NUDT1 (0.36) FLT1KDRKCNH2NUDT1
SCHEMBL16618817 0.71 HDAC1 (0.41) DHODHNAMPT
SCHEMBL16618614 0.71 FBP1 (0.42) NUDT1NAMPT
SCHEMBL19983721 0.70 HTR2C (0.32) NAMPT
SCHEMBL19983844 0.70 ALDH1A1 (0.35) MAPK14NAMPT
SCHEMBL16618671 0.69 HDAC1 (0.41) NAMPT
SCHEMBL19983916 0.69 KDM4E (0.30)

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-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed