SCHEMBL25403334

SCHEMBL25403334

O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(Oc2ncnc3[nH]ccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.65
▸ BRAF P15056 1/20 0.65
▸ MAPK14 Q16539 1/20 0.65
▸ TNNI3K Q59H18 1/20 0.65
▸ CSF1R P07333 4/20 0.62
▸ RET P07949 4/20 0.58
▸ FLT3 P36888 5/20 0.56
▸ TTBK1 Q5TCY1 1/20 0.54
▸ PDGFRB P09619 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ TRPA1 O75762 2/20 0.51
▸ KIT P10721 1/20 0.48

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
SCHEMBL25404330 0.90 CSF1R (0.60) KDRBRAFMAPK14TNNI3KCSF1R
SCHEMBL2847973 0.89 KDR (0.74) KDRBRAFMAPK14TNNI3KCSF1R
SCHEMBL25405811 0.88 KDR (0.81) KDRBRAFMAPK14TNNI3KCSF1R
SCHEMBL30564552 0.82 JAK2 (0.49) KDRBRAFMAPK14TNNI3KCSF1R
SCHEMBL12975650 0.81 NR2E1 (0.55) KDRBRAFMAPK14TNNI3KCSF1R
SCHEMBL25404649 0.81 CSF1R (0.76) KDRBRAFCSF1RRETFLT3
SCHEMBL26272089 0.80 KDR (0.66) KDRBRAFMAPK14TNNI3KCSF1R
SCHEMBL25405443 0.79 PDGFRB (0.64) KDRBRAFCSF1RFLT3PDGFRB
SCHEMBL25405161 0.79 CSF1R (0.61) KDRBRAFMAPK14TNNI3KCSF1R
SCHEMBL25403198 0.79 CSF1R (0.63) KDRBRAFMAPK14TNNI3KCSF1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789670-A Selective CSF1R inhibitor and application thereof 中国科学院合肥物质科学研究院 2023-09-22 — — CN disclosed
WO-2023173480-A1 SELECTIVE CSF1R INHIBITOR AND USE THEREOF 中国科学院合肥物质科学研究院 2023-09-21 — — WO disclosed
WO-2023173480-A1 SELECTIVE CSF1R INHIBITOR AND USE THEREOF 中国科学院合肥物质科学研究院 2023-09-21 — — WO disclosed
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