SCHEMBL30765189

SCHEMBL30765189

CC(C)(O)c1cc(-c2ccnc3cc(-c4ccc(C(=O)N5CCC(F)(F)CC5)cc4)oc23)ccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.35
BCR P11274 3/20 0.35
HPGD P15428 2/20 0.35
SLC6A7 Q99884 1/20 0.34
FASN P49327 1/20 0.34
PAK4 O96013 1/20 0.34
NAMPT P43490 1/20 0.34
PAK1 Q13153 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LIPC P11150 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
SCD5 Q86SK9 1/20 0.33
TNKS O95271 1/20 0.33

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
SCHEMBL27262537 1.00 ABL1 (0.35) ABL1BCRHPGDSLC6A7FASN
SCHEMBL30765184 0.91 CCNC (0.35) ABL1BCRSLC6A7LIPCCCNT1
SCHEMBL27262365 0.89 TGFBR1 (0.42) HPGDCCNT1CDK9KCNH2RAF1
SCHEMBL30765407 0.89 TGFBR1 (0.42) HPGDCCNT1CDK9KCNH2RAF1
SCHEMBL27262456 0.85 NAMPT (0.37) ABL1BCRHPGDNAMPT
SCHEMBL30765341 0.85 NAMPT (0.37) ABL1BCRHPGDNAMPT
SCHEMBL30765360 0.84 PIK3C3 (0.34) NAMPTCCNT1CDK9GABRA5RAF1
SCHEMBL27262867 0.84 KDM5A (0.39) SLC6A7
SCHEMBL30765178 0.83 NPC1 (0.43) HPGDNAMPTSMN1; SMN2HSD17B10
SCHEMBL30765379 0.83 NPC1 (0.43) HPGDNAMPTSMN1; SMN2HSD17B10

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-2024033280-A1 FUROPYRIDIN AND FUROPYRIMIDIN, INHIBITORS OF PI4K, FOR USE IN THE TREATMENT OF PARASITE INFECTION AND MALARIA MERCK PATENT GMBH (DE) 2024-02-15 WO disclosed