SCHEMBL6616450

SCHEMBL6616450

CCCNC(=O)n1nc(-c2cc(NC(=O)c3c(Cl)cccc3Cl)ccc2O)cc1C1CCC1.O=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCCc3ccccc3)n2)c1)c1c(Cl)cccc1Cl.O=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3)n2)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.36
▸ ACKR3 P25106 1/20 0.34
▸ JAK2 O60674 3/20 0.34
▸ TYK2 P29597 3/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ PTGES O14684 1/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6631319 0.88 JAK2 (0.39) JAK2TYK2JAK1NPC1RAB9A
SCHEMBL6618981 0.86 JAK2 (0.40) POLBACKR3JAK2TYK2JAK1
SCHEMBL6620323 0.85 TYK2 (0.41) JAK2TYK2JAK1NR1H4ITGB1
SCHEMBL6617797 0.85 TYK2 (0.42) JAK2TYK2JAK1NPC1RAB9A
SCHEMBL6620553 0.85 RAB9A (0.42) POLBACKR3PTGESNPC1RAB9A
SCHEMBL6617587 0.84 JAK2 (0.36) JAK2TYK2JAK1NPC1RAB9A
SCHEMBL6621042 0.83 ACKR3 (0.40) ACKR3GAAALDH1A1HTT
SCHEMBL6618849 0.83 CHRM5 (0.40) ACKR3NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6620003 0.83 RAB9A (0.39) POLBNPC1RAB9AMEN1MAPT
SCHEMBL6621561 0.83 SMN1; SMN2 (0.40) POLBACKR3NPC1RAB9AMEN1

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
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP disclosed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO disclosed
Send feedback