SCHEMBL5019720

SCHEMBL5019720

CC1=C(c2ccc(NC(=O)c3ncncc3C)cc2)CN(c2nnn(C)n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
NTRK1 P04629 1/20 0.33
PTPN11 Q06124 1/20 0.33
GRM5 P41594 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
KDR P35968 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 2/20 0.32
TP53 P04637 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 1/20 0.32
MTOR P42345 1/20 0.32
ABL1 P00519 1/20 0.31
KCNH2 Q12809 1/20 0.31
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
WNT1 P04628 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31

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
SCHEMBL5019605 0.85 L3MBTL1 (0.35) HPGDPTPN11GRM5KDM4EKDR
SCHEMBL5019765 0.83 CSNK1D (0.37) HPGDPTPN11GRM5KDRSMN1; SMN2
SCHEMBL5019717 0.83 CRACR2A (0.39) HPGDKDM4EUSP2
SCHEMBL5019742 0.82 MAPT (0.39) PTPN11KDM4ESMN1; SMN2POLBMAPT
SCHEMBL4561084 0.82 WDR5 (0.40) HPGDKDM4ESMN1; SMN2TP53POLB
SCHEMBL986115 0.81 LRRK2 (0.34) HPGDNTRK1KDM4EKDRSMN1; SMN2
SCHEMBL986981 0.80 TRPV1 (0.44) HPGDNTRK1KDRMTORRAF1
SCHEMBL4561040 0.80 KMT2A (0.35) PTPN11GRM5MAPT
SCHEMBL1781495 0.80 RAB9A (0.38) HPGDPTPN11TP53MAPT
SCHEMBL986998 0.80 STIM1 (0.42) PTPN11GRM5ABL1

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
WO-2012064808-A1 TETRAZOLYL - TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE - RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2012-05-18 WO disclosed