SCHEMBL30765407

SCHEMBL30765407

CC(C)(O)c1cc(-c2ccnc3cc(-c4ccc(C(=O)N5CCOCC5)cc4)oc23)ccn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.42
KCNH2 Q12809 2/20 0.41
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
HPGD P15428 2/20 0.40
MTOR P42345 1/20 0.40
RIPK1 Q13546 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
RAF1 P04049 3/20 0.38
BRAF P15056 3/20 0.38
HDAC4 P56524 1/20 0.38
MLYCD O95822 1/20 0.38

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
SCHEMBL27262365 1.00 TGFBR1 (0.42) TGFBR1KCNH2JAK2JAK1TYK2
SCHEMBL30765255 0.89 GLRA1 (0.39) TGFBR1RAF1BRAF
SCHEMBL30765285 0.89 GLRA1 (0.39) TGFBR1RAF1BRAF
SCHEMBL30765202 0.89 GLRA1 (0.39) TGFBR1RAF1BRAF
SCHEMBL30765189 0.89 ABL1 (0.35) KCNH2CCNT1CDK9HPGDRAF1
SCHEMBL27262537 0.89 ABL1 (0.35) KCNH2CCNT1CDK9HPGDRAF1
SCHEMBL30765225 0.88 CA9 (0.40) JAK2JAK1TYK2JAK3MTOR
SCHEMBL27263074 0.88 CA9 (0.40) JAK2JAK1TYK2JAK3MTOR
SCHEMBL30765367 0.88 CCNT1 (0.40) TGFBR1KCNH2CCNT1CDK9HPGD
SCHEMBL30765360 0.87 PIK3C3 (0.34) CCNT1CDK9RAF1BRAF

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