SCHEMBL30440679

SCHEMBL30440679

c1cc(-c2cc3c(NC4CCCCC4)ncnc3[nH]2)ccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 5/20 0.62
EGFR P00533 3/20 0.52
PRMT5 O14744 1/20 0.52
HPGDS O60760 2/20 0.51
KIT P10721 2/20 0.49
IRAK4 Q9NWZ3 2/20 0.47
CDC7 O00311 1/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
MAP4K4 O95819 1/20 0.47
CDK1 P06493 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
CDK2 P24941 1/20 0.47
MARK3 P27448 1/20 0.47
MAPK1 P28482 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47

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
SCHEMBL25261399 1.00 CSF1R (0.62) CSF1REGFRPRMT5HPGDSKIT
SCHEMBL3536147 0.76 EGFR (0.58) CSF1REGFRHPGDSMAPK1JAK2
SCHEMBL25638057 0.76 HPGDS (0.56) CSF1REGFRHPGDSIRAK4JAK2
SCHEMBL30441144 0.75 EGFR (0.45) CSF1REGFRHPGDSIRAK4CDC7
SCHEMBL10668360 0.75 EGFR (0.45) CSF1REGFRHPGDSIRAK4CDC7
SCHEMBL13737573 0.72 KIT (0.61) CSF1REGFRPRMT5KITMAP4K4
SCHEMBL10668363 0.72 LMNA (0.52) CSF1REGFRHPGDSIRAK4CDC7
SCHEMBL3982349 0.71 KIT (0.59) CSF1REGFRKITCDC7BRAF
SCHEMBL3982045 0.71 KIT (0.59) CSF1REGFRKITBRAFTNNI3K
SCHEMBL3542880 0.71 CSF1R (0.79) CSF1REGFRPRMT5JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098699-A1 COMPOUNDS AND THEIR USES AS CD38 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-06-08 WO claimed
WO-2023098699-A1 COMPOUNDS AND THEIR USES AS CD38 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-06-08 WO disclosed