SCHEMBL24579054

SCHEMBL24579054

COC(=O)c1cnc(C)c(NC(=O)c2cnn3cc(-c4cnn5c4CCC5)sc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 2/20 0.44
▸ PDGFRA P16234 2/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ STING1 Q86WV6 1/20 0.33
▸ CDK9 P50750 5/20 0.32
▸ CCNT1 O60563 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ MAPK14 Q16539 1/20 0.31
▸ KIT P10721 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
SCHEMBL29759716 1.00 POLQ (0.44) POLQPDGFRACHRM1HRH3NTRK1
SCHEMBL29759942 0.93 POLQ (0.42) POLQPDGFRACHRM1HRH3NTRK1
SCHEMBL24577500 0.93 POLQ (0.42) POLQPDGFRACHRM1HRH3NTRK1
SCHEMBL29759900 0.87 POLQ (0.42) POLQPDGFRACHRM1HRH3KDM4E
SCHEMBL30809558 0.86 PDGFRA (0.41) POLQPDGFRACHRM1HRH3NTRK1
SCHEMBL30809490 0.86 PDGFRA (0.44) POLQPDGFRACHRM1HRH3ALDH1A1
SCHEMBL24577503 0.84 PDGFRA (0.40) POLQPDGFRACHRM1HRH3CDK9
SCHEMBL30809482 0.84 PDGFRA (0.40) POLQPDGFRACHRM1HRH3KDM4E
SCHEMBL29759584 0.84 PDGFRA (0.40) POLQPDGFRACHRM1HRH3CDK9
SCHEMBL29760118 0.84 PDGFRA (0.39) POLQPDGFRACHRM1HRH3CDK9

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-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 — — WO disclosed
Send feedback