SCHEMBL25814238

SCHEMBL25814238

Cc1nc(NC(=O)CCNC(=O)c2cccc(-c3cnn(C)c3)c2)cn1C(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 6/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ DYRK1A Q13627 8/20 0.41
▸ GSK3B P49841 7/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ CLK3 P49761 1/20 0.41
▸ WNT1 P04628 7/20 0.41
▸ FYN P06241 1/20 0.41
▸ CREBBP Q92793 1/20 0.40
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ IRAK1 P51617 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL25814262 0.91 KIFC1 (0.50) KIFC1CSF1RKITDYRK1AGSK3B
SCHEMBL25814217 0.88 KIFC1 (0.52) KIFC1CSF1RKITDYRK1AGSK3B
SCHEMBL25291840 0.87 CSF1R (0.41) CSF1RKITDYRK1AGSK3BCLK2
SCHEMBL25291841 0.87 CSF1R (0.41) CSF1RKITDYRK1AGSK3BCLK2
SCHEMBL25254542 0.87 CSF1R (0.41) CSF1RKITDYRK1AGSK3BCLK2
SCHEMBL25295376 0.83 KIFC1 (0.61) KIFC1
SCHEMBL25813384 0.81 KIFC1 (0.64) KIFC1CSF1RKITFYN
SCHEMBL25295934 0.78 CTSV (0.41) CSF1RKITDYRK1AGSK3BCLK2
SCHEMBL25295933 0.78 CTSV (0.41) CSF1RKITDYRK1AGSK3BCLK2
SCHEMBL25248340 0.76 CTSV (0.39) KIFC1CSF1RKITDYRK1AGSK3B

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-2023131690-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2023-07-13 — — WO disclosed
Send feedback