SCHEMBL20042711

SCHEMBL20042711

O=C(c1ccc(Cl)cc1)N1Cc2nc(CO)nc(N3CCC3)c2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
KMT2A Q03164 4/20 0.43
CDK1 P06493 1/20 0.43
IGF1R P08069 1/20 0.43
FGFR1 P11362 1/20 0.43
BRAF P15056 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 1/20 0.43
JAK1 P23458 1/20 0.43
CDK2 P24941 1/20 0.43
AXL P30530 1/20 0.43
CDK5 Q00535 1/20 0.43
PTK2B Q14289 1/20 0.43
GBA1 P04062 1/20 0.42
ALDH1A1 P00352 5/20 0.41
POLB P06746 1/20 0.41
PHGDH O43175 1/20 0.41
HPGD P15428 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL20042740 0.90 HSD17B10 (0.49) HSD17B10KMT2ACDK1IGF1RFGFR1
SCHEMBL20042980 0.87 LSS (0.50) HSD17B10KMT2ACDK1IGF1RFGFR1
SCHEMBL20042810 0.87 HSD17B10 (0.46) HSD17B10KMT2ACDK1IGF1RFGFR1
SCHEMBL20042687 0.86 HSD17B10 (0.51) HSD17B10KMT2AGBA1ALDH1A1POLB
SCHEMBL20042811 0.85 HSD17B10 (0.60) HSD17B10KMT2AGBA1ALDH1A1POLB
SCHEMBL20042751 0.84 HSD17B10 (0.49) HSD17B10KMT2AGBA1ALDH1A1POLB
SCHEMBL20042827 0.81 HSD17B10 (0.46) HSD17B10KMT2AGBA1ALDH1A1POLB
SCHEMBL20042719 0.81 HSD17B10 (0.46) HSD17B10KMT2AGBA1POLBMAPT
SCHEMBL20042812 0.81 HSD17B10 (0.46) HSD17B10KMT2AGBA1ALDH1A1POLB
SCHEMBL20042715 0.80 HSD17B10 (0.45) HSD17B10KMT2AGBA1ALDH1A1POLB

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-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed