SCHEMBL27852007

SCHEMBL27852007

Cc1ccc(F)c2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.55
HPGD P15428 1/20 0.53
JAK2 O60674 13/20 0.51
BTK Q06187 6/20 0.51
JAK1 P23458 6/20 0.50
TYK2 P29597 6/20 0.50
JAK3 P52333 6/20 0.50
GAA P10253 1/20 0.48
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL140372 0.85 JAK2 (0.61) JAK2BTKJAK1TYK2JAK3
SCHEMBL27833910 0.84 PARP1 (0.52) PARP1HPGDJAK2BTKJAK1
SCHEMBL27852002 0.81 JAK2 (0.56) PARP1HPGDJAK2BTKJAK1
SCHEMBL13616256 0.77 HPGD (0.67) HPGDGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL10194842 0.77 HPGD (0.71) HPGDGAANPC1RAB9ASMN1; SMN2
SCHEMBL139641 0.74 JAK2 (0.60) JAK2BTKJAK1TYK2JAK3
SCHEMBL26465353 0.74 HPGD (0.59) HPGDGAANPC1RAB9ASMN1; SMN2
SCHEMBL27998023 0.73 JAK2 (0.53) PARP1HPGDJAK2BTKJAK1
SCHEMBL27998029 0.73 KMT2A (0.50) HPGDJAK2JAK1TYK2JAK3
SCHEMBL12311738 0.73 HPGD (0.77) HPGDGAANPC1RAB9ASMN1; SMN2

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
CN-102325752-A Carbazole and carboline kinase inhibitors BRISTOL MYERS SQUIBB CO 2012-01-18 CN disclosed