SCHEMBL8921430

SCHEMBL8921430

CC(C)Nc1cncnc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.48
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
GPR119 Q8TDV5 6/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GBA1 P04062 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MAP4K4 O95819 1/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
PTPN11 Q06124 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL8793643 0.82 POLB (0.54) KITCKS1BSKP1SKP2GPR119
SCHEMBL29741439 0.82 POLB (0.54) KITCKS1BSKP1SKP2GPR119
Ammonia Solution, Strong SCHEMBL9371185 0.81 POLB (0.53) KITCKS1BSKP1SKP2GPR119
SCHEMBL10319563 0.81 GPR119 (0.53) KITCKS1BSKP1SKP2GPR119
SCHEMBL2798741 0.81 KIT (0.51) KITCKS1BSKP1SKP2GPR119
SCHEMBL30417388 0.80 KIT (0.50) KITCKS1BSKP1SKP2GPR119
SCHEMBL25506032 0.80 KIT (0.50) KITCKS1BSKP1SKP2GPR119
SCHEMBL2796054 0.80 KIT (0.53) KITCKS1BSKP1SKP2GPR119
SCHEMBL2422161 0.80 KIT (0.50) KITCKS1BSKP1SKP2GPR119
SCHEMBL2796899 0.80 KIT (0.50) KITCKS1BSKP1SKP2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599930-A Substituted indoles as anti-AIDS pharmaceuticals THE UPJOHN COMPANY (US) 1997-02-04 US disclosed
US-5563142-A INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE THE UPJOHN COMPANY (US) 1996-10-08 US disclosed
EP-0507861-B1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS UPJOHN CO (US) 1996-09-11 EP disclosed
US-5489593-A Anti-aids piperazines THE UPJOHN COMPANY (US) 1996-02-06 US disclosed
EP-0594702-A1 SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS. UPJOHN CO (US) 1994-05-04 EP disclosed
WO-1993001181-A1 SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS THE UPJOHN COMPANY (US) 1993-01-21 WO disclosed
WO-1991009849-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS THE UPJOHN COMPANY (US) 1991-07-11 WO disclosed